GenomeNet

Database: PDB
Entry: 6OT0
LinkDB: 6OT0
Original site: 6OT0 
HEADER    SIGNALING PROTEIN                       02-MAY-19   6OT0              
TITLE     STRUCTURE OF HUMAN SMOOTHENED-GI COMPLEX                              
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SMOOTHENED HOMOLOG;                                        
COMPND   3 CHAIN: R;                                                            
COMPND   4 FRAGMENT: RESIDUES 1-555;                                            
COMPND   5 SYNONYM: SMO,PROTEIN GX;                                             
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: GUANINE NUCLEOTIDE-BINDING PROTEIN G(I) SUBUNIT ALPHA-1;   
COMPND   9 CHAIN: A;                                                            
COMPND  10 SYNONYM: ADENYLATE CYCLASE-INHIBITING G ALPHA PROTEIN;               
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 MOL_ID: 3;                                                           
COMPND  13 MOLECULE: GUANINE NUCLEOTIDE-BINDING PROTEIN G(I)/G(S)/G(T) SUBUNIT  
COMPND  14 BETA-1;                                                              
COMPND  15 CHAIN: B;                                                            
COMPND  16 SYNONYM: TRANSDUCIN BETA CHAIN 1;                                    
COMPND  17 ENGINEERED: YES;                                                     
COMPND  18 MOL_ID: 4;                                                           
COMPND  19 MOLECULE: GUANINE NUCLEOTIDE-BINDING PROTEIN G(I)/G(S)/G(O) SUBUNIT  
COMPND  20 GAMMA-2;                                                             
COMPND  21 CHAIN: G;                                                            
COMPND  22 SYNONYM: G GAMMA-I;                                                  
COMPND  23 ENGINEERED: YES;                                                     
COMPND  24 MOL_ID: 5;                                                           
COMPND  25 MOLECULE: FAB LIGHT CHAIN;                                           
COMPND  26 CHAIN: L;                                                            
COMPND  27 ENGINEERED: YES;                                                     
COMPND  28 MOL_ID: 6;                                                           
COMPND  29 MOLECULE: FAB HEAVY CHAIN;                                           
COMPND  30 CHAIN: H;                                                            
COMPND  31 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 GENE: SMO, SMOH;                                                     
SOURCE   6 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   7 EXPRESSION_SYSTEM_COMMON: HUMAN;                                     
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   9 MOL_ID: 2;                                                           
SOURCE  10 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  11 ORGANISM_COMMON: HUMAN;                                              
SOURCE  12 ORGANISM_TAXID: 9606;                                                
SOURCE  13 GENE: GNAI1;                                                         
SOURCE  14 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE  15 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM;                             
SOURCE  16 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE  17 MOL_ID: 3;                                                           
SOURCE  18 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  19 ORGANISM_COMMON: HUMAN;                                              
SOURCE  20 ORGANISM_TAXID: 9606;                                                
SOURCE  21 GENE: GNB1;                                                          
SOURCE  22 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE  23 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM;                             
SOURCE  24 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE  25 MOL_ID: 4;                                                           
SOURCE  26 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  27 ORGANISM_COMMON: HUMAN;                                              
SOURCE  28 ORGANISM_TAXID: 9606;                                                
SOURCE  29 GENE: GNG2;                                                          
SOURCE  30 EXPRESSION_SYSTEM: SPODOPTERA FRUGIPERDA;                            
SOURCE  31 EXPRESSION_SYSTEM_COMMON: FALL ARMYWORM;                             
SOURCE  32 EXPRESSION_SYSTEM_TAXID: 7108;                                       
SOURCE  33 MOL_ID: 5;                                                           
SOURCE  34 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  35 ORGANISM_COMMON: MOUSE;                                              
SOURCE  36 ORGANISM_TAXID: 10090;                                               
SOURCE  37 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  38 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE  39 MOL_ID: 6;                                                           
SOURCE  40 ORGANISM_SCIENTIFIC: MUS MUSCULUS;                                   
SOURCE  41 ORGANISM_COMMON: MOUSE;                                              
SOURCE  42 ORGANISM_TAXID: 10090;                                               
SOURCE  43 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  44 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    GPCR, COMPLEX, HEDGEHOG SIGNALING, SIGNALING PROTEIN                  
EXPDTA    ELECTRON MICROSCOPY                                                   
AUTHOR    X.QI,X.LI                                                             
REVDAT   3   24-JUL-19 6OT0    1       JRNL                                     
REVDAT   2   19-JUN-19 6OT0    1       JRNL                                     
REVDAT   1   12-JUN-19 6OT0    0                                                
JRNL        AUTH   X.QI,H.LIU,B.THOMPSON,J.MCDONALD,C.ZHANG,X.LI                
JRNL        TITL   CRYO-EM STRUCTURE OF OXYSTEROL-BOUND HUMAN SMOOTHENED        
JRNL        TITL 2 COUPLED TO A HETEROTRIMERIC GI.                              
JRNL        REF    NATURE                        V. 571   279 2019              
JRNL        REFN                   ESSN 1476-4687                               
JRNL        PMID   31168089                                                     
JRNL        DOI    10.1038/S41586-019-1286-0                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.90 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   SOFTWARE PACKAGES      : NULL                                      
REMARK   3   RECONSTRUCTION SCHEMA  : NULL                                      
REMARK   3                                                                      
REMARK   3 EM MAP-MODEL FITTING AND REFINEMENT                                  
REMARK   3   PDB ENTRY                    : NULL                                
REMARK   3   REFINEMENT SPACE             : NULL                                
REMARK   3   REFINEMENT PROTOCOL          : NULL                                
REMARK   3   REFINEMENT TARGET            : NULL                                
REMARK   3   OVERALL ANISOTROPIC B VALUE  : NULL                                
REMARK   3                                                                      
REMARK   3 FITTING PROCEDURE : NULL                                             
REMARK   3                                                                      
REMARK   3 EM IMAGE RECONSTRUCTION STATISTICS                                   
REMARK   3   NOMINAL PIXEL SIZE (ANGSTROMS)    : NULL                           
REMARK   3   ACTUAL PIXEL SIZE  (ANGSTROMS)    : NULL                           
REMARK   3   EFFECTIVE RESOLUTION (ANGSTROMS)  : 3.840                          
REMARK   3   NUMBER OF PARTICLES               : 141100                         
REMARK   3   CTF CORRECTION METHOD             : NONE                           
REMARK   3                                                                      
REMARK   3 EM RECONSTRUCTION MAGNIFICATION CALIBRATION: NULL                    
REMARK   3                                                                      
REMARK   3 OTHER DETAILS: NULL                                                  
REMARK   4                                                                      
REMARK   4 6OT0 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 03-MAY-19.                  
REMARK 100 THE DEPOSITION ID IS D_1000241281.                                   
REMARK 245                                                                      
REMARK 245 EXPERIMENTAL DETAILS                                                 
REMARK 245   RECONSTRUCTION METHOD          : SINGLE PARTICLE                   
REMARK 245   SPECIMEN TYPE                  : NULL                              
REMARK 245                                                                      
REMARK 245 ELECTRON MICROSCOPE SAMPLE                                           
REMARK 245   SAMPLE TYPE                    : PARTICLE                          
REMARK 245   PARTICLE TYPE                  : POINT                             
REMARK 245   NAME OF SAMPLE                 : SMOOTHENED-GI-FAB COMPLEX;        
REMARK 245                                    SMOOTHENED HOMOLOG; GUANINE       
REMARK 245                                    NUCLEOTIDE-BINDING PROTEIN G(I)   
REMARK 245                                    SUBUNIT ALPHA-1, GUANINE          
REMARK 245                                    NUCLEOTIDE-BINDING PROTEIN G(I)/  
REMARK 245                                    G(S)/G(T) SUBUNIT BETA-1,         
REMARK 245                                    GUANINE NUCLEOTIDE-BINDING        
REMARK 245                                    PROTEIN G(I)/G(S)/G(O) SUBUNIT    
REMARK 245                                    GAMMA-2; FAB LIGHT CHAIN, FAB     
REMARK 245                                    HEAVY CHAIN                       
REMARK 245   SAMPLE CONCENTRATION (MG ML-1) : NULL                              
REMARK 245   SAMPLE SUPPORT DETAILS         : NULL                              
REMARK 245   SAMPLE VITRIFICATION DETAILS   : NULL                              
REMARK 245   SAMPLE BUFFER                  : NULL                              
REMARK 245   PH                             : 7.50                              
REMARK 245   SAMPLE DETAILS                 : NULL                              
REMARK 245                                                                      
REMARK 245 DATA ACQUISITION                                                     
REMARK 245   DATE OF EXPERIMENT                : NULL                           
REMARK 245   NUMBER OF MICROGRAPHS-IMAGES      : NULL                           
REMARK 245   TEMPERATURE (KELVIN)              : NULL                           
REMARK 245   MICROSCOPE MODEL                  : FEI TITAN KRIOS                
REMARK 245   DETECTOR TYPE                     : GATAN K2 SUMMIT (4K X 4K)      
REMARK 245   MINIMUM DEFOCUS (NM)              : NULL                           
REMARK 245   MAXIMUM DEFOCUS (NM)              : NULL                           
REMARK 245   MINIMUM TILT ANGLE (DEGREES)      : NULL                           
REMARK 245   MAXIMUM TILT ANGLE (DEGREES)      : NULL                           
REMARK 245   NOMINAL CS                        : NULL                           
REMARK 245   IMAGING MODE                      : DARK FIELD                     
REMARK 245   ELECTRON DOSE (ELECTRONS NM**-2)  : 1.40                           
REMARK 245   ILLUMINATION MODE                 : FLOOD BEAM                     
REMARK 245   NOMINAL MAGNIFICATION             : NULL                           
REMARK 245   CALIBRATED MAGNIFICATION          : NULL                           
REMARK 245   SOURCE                            : FIELD EMISSION GUN             
REMARK 245   ACCELERATION VOLTAGE (KV)         : 300                            
REMARK 245   IMAGING DETAILS                   : NULL                           
REMARK 247                                                                      
REMARK 247 ELECTRON MICROSCOPY                                                  
REMARK 247  THE COORDINATES IN THIS ENTRY WERE GENERATED FROM ELECTRON          
REMARK 247  MICROSCOPY DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE              
REMARK 247  THAT CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES           
REMARK 247  ON THESE RECORDS ARE MEANINGLESS EXCEPT FOR THE CALCULATION         
REMARK 247  OF THE STRUCTURE FACTORS.                                           
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: HEXAMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: R, A, B, G, L, H                      
REMARK 350   BIOMT1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 350   BIOMT2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 350   BIOMT3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET R     1                                                      
REMARK 465     ALA R     2                                                      
REMARK 465     ALA R     3                                                      
REMARK 465     ALA R     4                                                      
REMARK 465     ARG R     5                                                      
REMARK 465     PRO R     6                                                      
REMARK 465     ALA R     7                                                      
REMARK 465     ARG R     8                                                      
REMARK 465     GLY R     9                                                      
REMARK 465     PRO R    10                                                      
REMARK 465     GLU R    11                                                      
REMARK 465     LEU R    12                                                      
REMARK 465     PRO R    13                                                      
REMARK 465     LEU R    14                                                      
REMARK 465     LEU R    15                                                      
REMARK 465     GLY R    16                                                      
REMARK 465     LEU R    17                                                      
REMARK 465     LEU R    18                                                      
REMARK 465     LEU R    19                                                      
REMARK 465     LEU R    20                                                      
REMARK 465     LEU R    21                                                      
REMARK 465     LEU R    22                                                      
REMARK 465     LEU R    23                                                      
REMARK 465     GLY R    24                                                      
REMARK 465     ASP R    25                                                      
REMARK 465     PRO R    26                                                      
REMARK 465     GLY R    27                                                      
REMARK 465     ARG R    28                                                      
REMARK 465     GLY R    29                                                      
REMARK 465     ALA R    30                                                      
REMARK 465     ALA R    31                                                      
REMARK 465     SER R    32                                                      
REMARK 465     SER R    33                                                      
REMARK 465     GLY R    34                                                      
REMARK 465     ASN R    35                                                      
REMARK 465     ALA R    36                                                      
REMARK 465     THR R    37                                                      
REMARK 465     GLY R    38                                                      
REMARK 465     PRO R    39                                                      
REMARK 465     GLY R    40                                                      
REMARK 465     PRO R    41                                                      
REMARK 465     ARG R    42                                                      
REMARK 465     SER R    43                                                      
REMARK 465     ALA R    44                                                      
REMARK 465     GLY R    45                                                      
REMARK 465     GLY R    46                                                      
REMARK 465     SER R    47                                                      
REMARK 465     ALA R    48                                                      
REMARK 465     ARG R    49                                                      
REMARK 465     ARG R    50                                                      
REMARK 465     SER R    51                                                      
REMARK 465     ALA R    52                                                      
REMARK 465     ALA R    53                                                      
REMARK 465     VAL R    54                                                      
REMARK 465     THR R    55                                                      
REMARK 465     GLY R    56                                                      
REMARK 465     PRO R    57                                                      
REMARK 465     PRO R    58                                                      
REMARK 465     PRO R    59                                                      
REMARK 465     PRO R    60                                                      
REMARK 465     LEU R    61                                                      
REMARK 465     SER R    62                                                      
REMARK 465     HIS R    63                                                      
REMARK 465     CYS R    64                                                      
REMARK 465     GLY R    65                                                      
REMARK 465     ARG R    66                                                      
REMARK 465     ALA R    67                                                      
REMARK 465     ALA R    68                                                      
REMARK 465     PRO R    69                                                      
REMARK 465     CYS R    70                                                      
REMARK 465     GLU R    71                                                      
REMARK 465     PRO R    72                                                      
REMARK 465     LEU R    73                                                      
REMARK 465     ARG R    74                                                      
REMARK 465     TYR R    75                                                      
REMARK 465     ASN R    76                                                      
REMARK 465     VAL R    77                                                      
REMARK 465     CYS R    78                                                      
REMARK 465     LEU R    79                                                      
REMARK 465     GLY R    80                                                      
REMARK 465     SER R    81                                                      
REMARK 465     VAL R    82                                                      
REMARK 465     LEU R    83                                                      
REMARK 465     PRO R    84                                                      
REMARK 465     TYR R    85                                                      
REMARK 465     GLY R    86                                                      
REMARK 465     ALA R    87                                                      
REMARK 465     THR R    88                                                      
REMARK 465     SER R    89                                                      
REMARK 465     THR R    90                                                      
REMARK 465     LEU R    91                                                      
REMARK 465     LEU R    92                                                      
REMARK 465     ALA R    93                                                      
REMARK 465     GLY R    94                                                      
REMARK 465     ASP R    95                                                      
REMARK 465     SER R    96                                                      
REMARK 465     ASP R    97                                                      
REMARK 465     SER R    98                                                      
REMARK 465     GLN R    99                                                      
REMARK 465     GLU R   100                                                      
REMARK 465     GLU R   101                                                      
REMARK 465     ALA R   102                                                      
REMARK 465     HIS R   103                                                      
REMARK 465     GLY R   104                                                      
REMARK 465     LYS R   105                                                      
REMARK 465     LEU R   106                                                      
REMARK 465     VAL R   107                                                      
REMARK 465     LEU R   108                                                      
REMARK 465     TRP R   109                                                      
REMARK 465     SER R   110                                                      
REMARK 465     GLY R   111                                                      
REMARK 465     LEU R   112                                                      
REMARK 465     ARG R   113                                                      
REMARK 465     ASN R   114                                                      
REMARK 465     ALA R   115                                                      
REMARK 465     PRO R   116                                                      
REMARK 465     ARG R   117                                                      
REMARK 465     CYS R   118                                                      
REMARK 465     TRP R   119                                                      
REMARK 465     ALA R   120                                                      
REMARK 465     VAL R   121                                                      
REMARK 465     ILE R   122                                                      
REMARK 465     GLN R   123                                                      
REMARK 465     PRO R   124                                                      
REMARK 465     LEU R   125                                                      
REMARK 465     LEU R   126                                                      
REMARK 465     CYS R   127                                                      
REMARK 465     ALA R   128                                                      
REMARK 465     VAL R   129                                                      
REMARK 465     TYR R   130                                                      
REMARK 465     MET R   131                                                      
REMARK 465     PRO R   132                                                      
REMARK 465     LYS R   133                                                      
REMARK 465     CYS R   134                                                      
REMARK 465     GLU R   135                                                      
REMARK 465     ASN R   136                                                      
REMARK 465     ASP R   137                                                      
REMARK 465     ARG R   138                                                      
REMARK 465     VAL R   139                                                      
REMARK 465     GLU R   140                                                      
REMARK 465     LEU R   141                                                      
REMARK 465     PRO R   142                                                      
REMARK 465     SER R   143                                                      
REMARK 465     ARG R   144                                                      
REMARK 465     THR R   145                                                      
REMARK 465     LEU R   146                                                      
REMARK 465     CYS R   147                                                      
REMARK 465     GLN R   148                                                      
REMARK 465     ALA R   149                                                      
REMARK 465     THR R   150                                                      
REMARK 465     ARG R   151                                                      
REMARK 465     GLY R   152                                                      
REMARK 465     PRO R   153                                                      
REMARK 465     CYS R   154                                                      
REMARK 465     ALA R   155                                                      
REMARK 465     ILE R   156                                                      
REMARK 465     VAL R   157                                                      
REMARK 465     GLU R   158                                                      
REMARK 465     ARG R   159                                                      
REMARK 465     GLU R   160                                                      
REMARK 465     ARG R   161                                                      
REMARK 465     GLY R   162                                                      
REMARK 465     TRP R   163                                                      
REMARK 465     PRO R   164                                                      
REMARK 465     ASP R   165                                                      
REMARK 465     PHE R   166                                                      
REMARK 465     LEU R   167                                                      
REMARK 465     ARG R   168                                                      
REMARK 465     CYS R   169                                                      
REMARK 465     THR R   170                                                      
REMARK 465     PRO R   171                                                      
REMARK 465     ASP R   172                                                      
REMARK 465     ARG R   173                                                      
REMARK 465     PHE R   174                                                      
REMARK 465     PRO R   175                                                      
REMARK 465     GLU R   176                                                      
REMARK 465     GLY R   177                                                      
REMARK 465     CYS R   178                                                      
REMARK 465     THR R   179                                                      
REMARK 465     ASN R   180                                                      
REMARK 465     GLU R   181                                                      
REMARK 465     VAL R   182                                                      
REMARK 465     GLN R   183                                                      
REMARK 465     ASN R   184                                                      
REMARK 465     ILE R   185                                                      
REMARK 465     LYS R   186                                                      
REMARK 465     PHE R   187                                                      
REMARK 465     ASN R   188                                                      
REMARK 465     SER R   189                                                      
REMARK 465     GLY R   554                                                      
REMARK 465     GLN R   555                                                      
REMARK 465     ASP R   556                                                      
REMARK 465     TYR R   557                                                      
REMARK 465     LYS R   558                                                      
REMARK 465     ASP R   559                                                      
REMARK 465     ASP R   560                                                      
REMARK 465     ASP R   561                                                      
REMARK 465     ASP R   562                                                      
REMARK 465     LYS R   563                                                      
REMARK 465     MET B   -10                                                      
REMARK 465     HIS B    -9                                                      
REMARK 465     HIS B    -8                                                      
REMARK 465     HIS B    -7                                                      
REMARK 465     HIS B    -6                                                      
REMARK 465     HIS B    -5                                                      
REMARK 465     HIS B    -4                                                      
REMARK 465     GLY B    -3                                                      
REMARK 465     SER B    -2                                                      
REMARK 465     LEU B    -1                                                      
REMARK 465     LEU B     0                                                      
REMARK 465     GLN B     1                                                      
REMARK 465     MET G     1                                                      
REMARK 465     ALA G     2                                                      
REMARK 465     SER G     3                                                      
REMARK 465     ASN G     4                                                      
REMARK 465     GLU G    63                                                      
REMARK 465     LYS G    64                                                      
REMARK 465     LYS G    65                                                      
REMARK 465     PHE G    66                                                      
REMARK 465     PHE G    67                                                      
REMARK 465     CYS G    68                                                      
REMARK 465     ALA G    69                                                      
REMARK 465     ILE G    70                                                      
REMARK 465     LEU G    71                                                      
REMARK 465     SER L     1                                                      
REMARK 465     ASP L     2                                                      
REMARK 465     ILE L     3                                                      
REMARK 465     GLN L     4                                                      
REMARK 465     ARG L   109                                                      
REMARK 465     THR L   110                                                      
REMARK 465     VAL L   111                                                      
REMARK 465     ALA L   112                                                      
REMARK 465     ALA L   113                                                      
REMARK 465     PRO L   114                                                      
REMARK 465     SER L   115                                                      
REMARK 465     VAL L   116                                                      
REMARK 465     PHE L   117                                                      
REMARK 465     ILE L   118                                                      
REMARK 465     PHE L   119                                                      
REMARK 465     PRO L   120                                                      
REMARK 465     PRO L   121                                                      
REMARK 465     SER L   122                                                      
REMARK 465     ASP L   123                                                      
REMARK 465     SER L   124                                                      
REMARK 465     GLN L   125                                                      
REMARK 465     LEU L   126                                                      
REMARK 465     LYS L   127                                                      
REMARK 465     SER L   128                                                      
REMARK 465     GLY L   129                                                      
REMARK 465     THR L   130                                                      
REMARK 465     ALA L   131                                                      
REMARK 465     SER L   132                                                      
REMARK 465     VAL L   133                                                      
REMARK 465     VAL L   134                                                      
REMARK 465     CYS L   135                                                      
REMARK 465     LEU L   136                                                      
REMARK 465     LEU L   137                                                      
REMARK 465     ASN L   138                                                      
REMARK 465     ASN L   139                                                      
REMARK 465     PHE L   140                                                      
REMARK 465     TYR L   141                                                      
REMARK 465     PRO L   142                                                      
REMARK 465     ARG L   143                                                      
REMARK 465     GLU L   144                                                      
REMARK 465     ALA L   145                                                      
REMARK 465     LYS L   146                                                      
REMARK 465     VAL L   147                                                      
REMARK 465     GLN L   148                                                      
REMARK 465     TRP L   149                                                      
REMARK 465     LYS L   150                                                      
REMARK 465     VAL L   151                                                      
REMARK 465     ASP L   152                                                      
REMARK 465     ASN L   153                                                      
REMARK 465     ALA L   154                                                      
REMARK 465     LEU L   155                                                      
REMARK 465     GLN L   156                                                      
REMARK 465     SER L   157                                                      
REMARK 465     GLY L   158                                                      
REMARK 465     ASN L   159                                                      
REMARK 465     SER L   160                                                      
REMARK 465     GLN L   161                                                      
REMARK 465     GLU L   162                                                      
REMARK 465     SER L   163                                                      
REMARK 465     VAL L   164                                                      
REMARK 465     THR L   165                                                      
REMARK 465     GLU L   166                                                      
REMARK 465     GLN L   167                                                      
REMARK 465     ASP L   168                                                      
REMARK 465     SER L   169                                                      
REMARK 465     LYS L   170                                                      
REMARK 465     ASP L   171                                                      
REMARK 465     SER L   172                                                      
REMARK 465     THR L   173                                                      
REMARK 465     TYR L   174                                                      
REMARK 465     SER L   175                                                      
REMARK 465     LEU L   176                                                      
REMARK 465     SER L   177                                                      
REMARK 465     SER L   178                                                      
REMARK 465     THR L   179                                                      
REMARK 465     LEU L   180                                                      
REMARK 465     THR L   181                                                      
REMARK 465     LEU L   182                                                      
REMARK 465     SER L   183                                                      
REMARK 465     LYS L   184                                                      
REMARK 465     ALA L   185                                                      
REMARK 465     ASP L   186                                                      
REMARK 465     TYR L   187                                                      
REMARK 465     GLU L   188                                                      
REMARK 465     LYS L   189                                                      
REMARK 465     HIS L   190                                                      
REMARK 465     LYS L   191                                                      
REMARK 465     VAL L   192                                                      
REMARK 465     TYR L   193                                                      
REMARK 465     ALA L   194                                                      
REMARK 465     CYS L   195                                                      
REMARK 465     GLU L   196                                                      
REMARK 465     VAL L   197                                                      
REMARK 465     THR L   198                                                      
REMARK 465     HIS L   199                                                      
REMARK 465     GLN L   200                                                      
REMARK 465     GLY L   201                                                      
REMARK 465     LEU L   202                                                      
REMARK 465     SER L   203                                                      
REMARK 465     SER L   204                                                      
REMARK 465     PRO L   205                                                      
REMARK 465     VAL L   206                                                      
REMARK 465     THR L   207                                                      
REMARK 465     LYS L   208                                                      
REMARK 465     SER L   209                                                      
REMARK 465     PHE L   210                                                      
REMARK 465     ASN L   211                                                      
REMARK 465     ARG L   212                                                      
REMARK 465     GLY L   213                                                      
REMARK 465     GLU L   214                                                      
REMARK 465     CYS L   215                                                      
REMARK 465     GLU H     1                                                      
REMARK 465     ILE H     2                                                      
REMARK 465     SER H     3                                                      
REMARK 465     GLU H     4                                                      
REMARK 465     SER H   131                                                      
REMARK 465     ALA H   132                                                      
REMARK 465     SER H   133                                                      
REMARK 465     THR H   134                                                      
REMARK 465     LYS H   135                                                      
REMARK 465     GLY H   136                                                      
REMARK 465     PRO H   137                                                      
REMARK 465     SER H   138                                                      
REMARK 465     VAL H   139                                                      
REMARK 465     PHE H   140                                                      
REMARK 465     PRO H   141                                                      
REMARK 465     LEU H   142                                                      
REMARK 465     ALA H   143                                                      
REMARK 465     PRO H   144                                                      
REMARK 465     SER H   145                                                      
REMARK 465     SER H   146                                                      
REMARK 465     LYS H   147                                                      
REMARK 465     SER H   148                                                      
REMARK 465     THR H   149                                                      
REMARK 465     SER H   150                                                      
REMARK 465     GLY H   151                                                      
REMARK 465     GLY H   152                                                      
REMARK 465     THR H   153                                                      
REMARK 465     ALA H   154                                                      
REMARK 465     ALA H   155                                                      
REMARK 465     LEU H   156                                                      
REMARK 465     GLY H   157                                                      
REMARK 465     CYS H   158                                                      
REMARK 465     LEU H   159                                                      
REMARK 465     VAL H   160                                                      
REMARK 465     LYS H   161                                                      
REMARK 465     ASP H   162                                                      
REMARK 465     TYR H   163                                                      
REMARK 465     PHE H   164                                                      
REMARK 465     PRO H   165                                                      
REMARK 465     GLU H   166                                                      
REMARK 465     PRO H   167                                                      
REMARK 465     VAL H   168                                                      
REMARK 465     THR H   169                                                      
REMARK 465     VAL H   170                                                      
REMARK 465     SER H   171                                                      
REMARK 465     TRP H   172                                                      
REMARK 465     ASN H   173                                                      
REMARK 465     SER H   174                                                      
REMARK 465     GLY H   175                                                      
REMARK 465     ALA H   176                                                      
REMARK 465     LEU H   177                                                      
REMARK 465     THR H   178                                                      
REMARK 465     SER H   179                                                      
REMARK 465     GLY H   180                                                      
REMARK 465     VAL H   181                                                      
REMARK 465     HIS H   182                                                      
REMARK 465     THR H   183                                                      
REMARK 465     PHE H   184                                                      
REMARK 465     PRO H   185                                                      
REMARK 465     ALA H   186                                                      
REMARK 465     VAL H   187                                                      
REMARK 465     LEU H   188                                                      
REMARK 465     GLN H   189                                                      
REMARK 465     SER H   190                                                      
REMARK 465     SER H   191                                                      
REMARK 465     GLY H   192                                                      
REMARK 465     LEU H   193                                                      
REMARK 465     TYR H   194                                                      
REMARK 465     SER H   195                                                      
REMARK 465     LEU H   196                                                      
REMARK 465     SER H   197                                                      
REMARK 465     SER H   198                                                      
REMARK 465     VAL H   199                                                      
REMARK 465     VAL H   200                                                      
REMARK 465     THR H   201                                                      
REMARK 465     VAL H   202                                                      
REMARK 465     PRO H   203                                                      
REMARK 465     SER H   204                                                      
REMARK 465     SER H   205                                                      
REMARK 465     SER H   206                                                      
REMARK 465     LEU H   207                                                      
REMARK 465     GLY H   208                                                      
REMARK 465     THR H   209                                                      
REMARK 465     GLN H   210                                                      
REMARK 465     THR H   211                                                      
REMARK 465     TYR H   212                                                      
REMARK 465     ILE H   213                                                      
REMARK 465     CYS H   214                                                      
REMARK 465     ASN H   215                                                      
REMARK 465     VAL H   216                                                      
REMARK 465     ASN H   217                                                      
REMARK 465     HIS H   218                                                      
REMARK 465     LYS H   219                                                      
REMARK 465     PRO H   220                                                      
REMARK 465     SER H   221                                                      
REMARK 465     ASN H   222                                                      
REMARK 465     THR H   223                                                      
REMARK 465     LYS H   224                                                      
REMARK 465     VAL H   225                                                      
REMARK 465     ASP H   226                                                      
REMARK 465     LYS H   227                                                      
REMARK 465     LYS H   228                                                      
REMARK 465     VAL H   229                                                      
REMARK 465     GLU H   230                                                      
REMARK 465     PRO H   231                                                      
REMARK 465     LYS H   232                                                      
REMARK 465     SER H   233                                                      
REMARK 465     CYS H   234                                                      
REMARK 465     ASP H   235                                                      
REMARK 465     LYS H   236                                                      
REMARK 465     THR H   237                                                      
REMARK 465     HIS H   238                                                      
REMARK 465     THR H   239                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   N    VAL R   198     O    GLY R   214              2.19            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS                                      
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)               
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   RES CSSEQI ATM2   DEVIATION                     
REMARK 500    TYR R 262   C     TYR R 262   O       0.321                       
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500    PRO R 263   C   -  N   -  CD  ANGL. DEV. = -17.4 DEGREES          
REMARK 500    ARG R 451   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500    ARG R 451   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.3 DEGREES          
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    ASP R 201       52.85    -98.91                                   
REMARK 500    PRO R 263       -4.53    -51.74                                   
REMARK 500    MET R 286     -156.56    -88.14                                   
REMARK 500    GLN R 351       66.83     60.26                                   
REMARK 500    LEU R 353       80.50    -68.32                                   
REMARK 500    LYS R 356       20.82   -146.54                                   
REMARK 500    GLN R 380       52.81    -96.33                                   
REMARK 500    PRO R 503     -168.04    -71.22                                   
REMARK 500    TRP R 537       75.59    -69.79                                   
REMARK 500    SER A 151       35.06    -88.53                                   
REMARK 500    ASP A 158       36.37    -98.63                                   
REMARK 500    THR A 181      -60.31    -93.18                                   
REMARK 500    ASP A 193       20.53     48.20                                   
REMARK 500    LYS A 209      -51.01   -149.89                                   
REMARK 500    GLU A 216      -62.50    -94.09                                   
REMARK 500    ALA A 235       38.94    -83.60                                   
REMARK 500    LEU A 283        5.18    -62.16                                   
REMARK 500    PHE A 323     -167.69   -127.24                                   
REMARK 500    SER B  67       29.36     48.92                                   
REMARK 500    SER B  98       25.48   -142.45                                   
REMARK 500    ASP B 153     -175.28   -175.16                                   
REMARK 500    ASP B 163       30.82    -97.35                                   
REMARK 500    CYS B 218       99.25    -69.13                                   
REMARK 500    THR B 249       58.40    -94.27                                   
REMARK 500    ASP B 258       61.77     61.17                                   
REMARK 500    LEU B 261      -62.19   -107.07                                   
REMARK 500    ALA B 305       79.44   -113.41                                   
REMARK 500    LEU B 308       38.35   -140.47                                   
REMARK 500    SER L  32       40.43    -90.15                                   
REMARK 500    LEU L  48      -62.72   -104.86                                   
REMARK 500    ALA L  52       -0.88     65.35                                   
REMARK 500    SER L  53      -63.13   -126.57                                   
REMARK 500    SER L  61       38.52    -92.37                                   
REMARK 500    PRO L  81        1.11    -68.99                                   
REMARK 500    ASP L  83       75.30   -108.64                                   
REMARK 500    SER L  92       36.52   -140.97                                   
REMARK 500    TYR H  34       34.23    -86.24                                   
REMARK 500    VAL H  51      -62.32   -108.20                                   
REMARK 500    PRO H 111       96.49    -66.32                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 TYR R  262     PRO R  263                 -110.37                    
REMARK 500 GLY R  347     THR R  348                 -145.34                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION ANGLE, C(I) - CA(I) - N(I+1) - O(I), GREATER                 
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    TYR R 262        -17.70                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue CO1 R 601                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: EMD-20190   RELATED DB: EMDB                             
REMARK 900 STRUCTURE OF HUMAN SMOOTHENED-GI COMPLEX                             
DBREF  6OT0 R    1   555  UNP    Q99835   SMO_HUMAN        1    555             
DBREF  6OT0 A    1   354  UNP    P63096   GNAI1_HUMAN      1    354             
DBREF  6OT0 B    2   340  UNP    P62873   GBB1_HUMAN       2    340             
DBREF  6OT0 G    1    71  UNP    P59768   GBG2_HUMAN       1     71             
DBREF  6OT0 L    1   215  PDB    6OT0     6OT0             1    215             
DBREF  6OT0 H    1   239  PDB    6OT0     6OT0             1    239             
SEQADV 6OT0 ASP R  556  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 TYR R  557  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 LYS R  558  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 ASP R  559  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 ASP R  560  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 ASP R  561  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 ASP R  562  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 LYS R  563  UNP  Q99835              EXPRESSION TAG                 
SEQADV 6OT0 ASN A   47  UNP  P63096    SER    47 CONFLICT                       
SEQADV 6OT0 ALA A  203  UNP  P63096    GLY   203 CONFLICT                       
SEQADV 6OT0 ALA A  245  UNP  P63096    GLU   245 CONFLICT                       
SEQADV 6OT0 SER A  326  UNP  P63096    ALA   326 CONFLICT                       
SEQADV 6OT0 MET B  -10  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 HIS B   -9  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 HIS B   -8  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 HIS B   -7  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 HIS B   -6  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 HIS B   -5  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 HIS B   -4  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 GLY B   -3  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 SER B   -2  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 LEU B   -1  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 LEU B    0  UNP  P62873              EXPRESSION TAG                 
SEQADV 6OT0 GLN B    1  UNP  P62873              EXPRESSION TAG                 
SEQRES   1 R  563  MET ALA ALA ALA ARG PRO ALA ARG GLY PRO GLU LEU PRO          
SEQRES   2 R  563  LEU LEU GLY LEU LEU LEU LEU LEU LEU LEU GLY ASP PRO          
SEQRES   3 R  563  GLY ARG GLY ALA ALA SER SER GLY ASN ALA THR GLY PRO          
SEQRES   4 R  563  GLY PRO ARG SER ALA GLY GLY SER ALA ARG ARG SER ALA          
SEQRES   5 R  563  ALA VAL THR GLY PRO PRO PRO PRO LEU SER HIS CYS GLY          
SEQRES   6 R  563  ARG ALA ALA PRO CYS GLU PRO LEU ARG TYR ASN VAL CYS          
SEQRES   7 R  563  LEU GLY SER VAL LEU PRO TYR GLY ALA THR SER THR LEU          
SEQRES   8 R  563  LEU ALA GLY ASP SER ASP SER GLN GLU GLU ALA HIS GLY          
SEQRES   9 R  563  LYS LEU VAL LEU TRP SER GLY LEU ARG ASN ALA PRO ARG          
SEQRES  10 R  563  CYS TRP ALA VAL ILE GLN PRO LEU LEU CYS ALA VAL TYR          
SEQRES  11 R  563  MET PRO LYS CYS GLU ASN ASP ARG VAL GLU LEU PRO SER          
SEQRES  12 R  563  ARG THR LEU CYS GLN ALA THR ARG GLY PRO CYS ALA ILE          
SEQRES  13 R  563  VAL GLU ARG GLU ARG GLY TRP PRO ASP PHE LEU ARG CYS          
SEQRES  14 R  563  THR PRO ASP ARG PHE PRO GLU GLY CYS THR ASN GLU VAL          
SEQRES  15 R  563  GLN ASN ILE LYS PHE ASN SER SER GLY GLN CYS GLU VAL          
SEQRES  16 R  563  PRO LEU VAL ARG THR ASP ASN PRO LYS SER TRP TYR GLU          
SEQRES  17 R  563  ASP VAL GLU GLY CYS GLY ILE GLN CYS GLN ASN PRO LEU          
SEQRES  18 R  563  PHE THR GLU ALA GLU HIS GLN ASP MET HIS SER TYR ILE          
SEQRES  19 R  563  ALA ALA PHE GLY ALA VAL THR GLY LEU CYS THR LEU PHE          
SEQRES  20 R  563  THR LEU ALA THR PHE VAL ALA ASP TRP ARG ASN SER ASN          
SEQRES  21 R  563  ARG TYR PRO ALA VAL ILE LEU PHE TYR VAL ASN ALA CYS          
SEQRES  22 R  563  PHE PHE VAL GLY SER ILE GLY TRP LEU ALA GLN PHE MET          
SEQRES  23 R  563  ASP GLY ALA ARG ARG GLU ILE VAL CYS ARG ALA ASP GLY          
SEQRES  24 R  563  THR MET ARG LEU GLY GLU PRO THR SER ASN GLU THR LEU          
SEQRES  25 R  563  SER CYS VAL ILE ILE PHE VAL ILE VAL TYR TYR ALA LEU          
SEQRES  26 R  563  MET ALA GLY VAL VAL TRP PHE VAL VAL LEU THR TYR ALA          
SEQRES  27 R  563  TRP HIS THR SER PHE LYS ALA LEU GLY THR THR TYR GLN          
SEQRES  28 R  563  PRO LEU SER GLY LYS THR SER TYR PHE HIS LEU LEU THR          
SEQRES  29 R  563  TRP SER LEU PRO PHE VAL LEU THR VAL ALA ILE LEU ALA          
SEQRES  30 R  563  VAL ALA GLN VAL ASP GLY ASP SER VAL SER GLY ILE CYS          
SEQRES  31 R  563  PHE VAL GLY TYR LYS ASN TYR ARG TYR ARG ALA GLY PHE          
SEQRES  32 R  563  VAL LEU ALA PRO ILE GLY LEU VAL LEU ILE VAL GLY GLY          
SEQRES  33 R  563  TYR PHE LEU ILE ARG GLY VAL MET THR LEU PHE SER ILE          
SEQRES  34 R  563  LYS SER ASN HIS PRO GLY LEU LEU SER GLU LYS ALA ALA          
SEQRES  35 R  563  SER LYS ILE ASN GLU THR MET LEU ARG LEU GLY ILE PHE          
SEQRES  36 R  563  GLY PHE LEU ALA PHE GLY PHE VAL LEU ILE THR PHE SER          
SEQRES  37 R  563  CYS HIS PHE TYR ASP PHE PHE ASN GLN ALA GLU TRP GLU          
SEQRES  38 R  563  ARG SER PHE ARG ASP TYR VAL LEU CYS GLN ALA ASN VAL          
SEQRES  39 R  563  THR ILE GLY LEU PRO THR LYS GLN PRO ILE PRO ASP CYS          
SEQRES  40 R  563  GLU ILE LYS ASN ARG PRO SER LEU LEU VAL GLU LYS ILE          
SEQRES  41 R  563  ASN LEU PHE ALA MET PHE GLY THR GLY ILE ALA MET SER          
SEQRES  42 R  563  THR TRP VAL TRP THR LYS ALA THR LEU LEU ILE TRP ARG          
SEQRES  43 R  563  ARG THR TRP CYS ARG LEU THR GLY GLN ASP TYR LYS ASP          
SEQRES  44 R  563  ASP ASP ASP LYS                                              
SEQRES   1 A  354  MET GLY CYS THR LEU SER ALA GLU ASP LYS ALA ALA VAL          
SEQRES   2 A  354  GLU ARG SER LYS MET ILE ASP ARG ASN LEU ARG GLU ASP          
SEQRES   3 A  354  GLY GLU LYS ALA ALA ARG GLU VAL LYS LEU LEU LEU LEU          
SEQRES   4 A  354  GLY ALA GLY GLU SER GLY LYS ASN THR ILE VAL LYS GLN          
SEQRES   5 A  354  MET LYS ILE ILE HIS GLU ALA GLY TYR SER GLU GLU GLU          
SEQRES   6 A  354  CYS LYS GLN TYR LYS ALA VAL VAL TYR SER ASN THR ILE          
SEQRES   7 A  354  GLN SER ILE ILE ALA ILE ILE ARG ALA MET GLY ARG LEU          
SEQRES   8 A  354  LYS ILE ASP PHE GLY ASP SER ALA ARG ALA ASP ASP ALA          
SEQRES   9 A  354  ARG GLN LEU PHE VAL LEU ALA GLY ALA ALA GLU GLU GLY          
SEQRES  10 A  354  PHE MET THR ALA GLU LEU ALA GLY VAL ILE LYS ARG LEU          
SEQRES  11 A  354  TRP LYS ASP SER GLY VAL GLN ALA CYS PHE ASN ARG SER          
SEQRES  12 A  354  ARG GLU TYR GLN LEU ASN ASP SER ALA ALA TYR TYR LEU          
SEQRES  13 A  354  ASN ASP LEU ASP ARG ILE ALA GLN PRO ASN TYR ILE PRO          
SEQRES  14 A  354  THR GLN GLN ASP VAL LEU ARG THR ARG VAL LYS THR THR          
SEQRES  15 A  354  GLY ILE VAL GLU THR HIS PHE THR PHE LYS ASP LEU HIS          
SEQRES  16 A  354  PHE LYS MET PHE ASP VAL GLY ALA GLN ARG SER GLU ARG          
SEQRES  17 A  354  LYS LYS TRP ILE HIS CYS PHE GLU GLY VAL THR ALA ILE          
SEQRES  18 A  354  ILE PHE CYS VAL ALA LEU SER ASP TYR ASP LEU VAL LEU          
SEQRES  19 A  354  ALA GLU ASP GLU GLU MET ASN ARG MET HIS ALA SER MET          
SEQRES  20 A  354  LYS LEU PHE ASP SER ILE CYS ASN ASN LYS TRP PHE THR          
SEQRES  21 A  354  ASP THR SER ILE ILE LEU PHE LEU ASN LYS LYS ASP LEU          
SEQRES  22 A  354  PHE GLU GLU LYS ILE LYS LYS SER PRO LEU THR ILE CYS          
SEQRES  23 A  354  TYR PRO GLU TYR ALA GLY SER ASN THR TYR GLU GLU ALA          
SEQRES  24 A  354  ALA ALA TYR ILE GLN CYS GLN PHE GLU ASP LEU ASN LYS          
SEQRES  25 A  354  ARG LYS ASP THR LYS GLU ILE TYR THR HIS PHE THR CYS          
SEQRES  26 A  354  SER THR ASP THR LYS ASN VAL GLN PHE VAL PHE ASP ALA          
SEQRES  27 A  354  VAL THR ASP VAL ILE ILE LYS ASN ASN LEU LYS ASP CYS          
SEQRES  28 A  354  GLY LEU PHE                                                  
SEQRES   1 B  351  MET HIS HIS HIS HIS HIS HIS GLY SER LEU LEU GLN SER          
SEQRES   2 B  351  GLU LEU ASP GLN LEU ARG GLN GLU ALA GLU GLN LEU LYS          
SEQRES   3 B  351  ASN GLN ILE ARG ASP ALA ARG LYS ALA CYS ALA ASP ALA          
SEQRES   4 B  351  THR LEU SER GLN ILE THR ASN ASN ILE ASP PRO VAL GLY          
SEQRES   5 B  351  ARG ILE GLN MET ARG THR ARG ARG THR LEU ARG GLY HIS          
SEQRES   6 B  351  LEU ALA LYS ILE TYR ALA MET HIS TRP GLY THR ASP SER          
SEQRES   7 B  351  ARG LEU LEU VAL SER ALA SER GLN ASP GLY LYS LEU ILE          
SEQRES   8 B  351  ILE TRP ASP SER TYR THR THR ASN LYS VAL HIS ALA ILE          
SEQRES   9 B  351  PRO LEU ARG SER SER TRP VAL MET THR CYS ALA TYR ALA          
SEQRES  10 B  351  PRO SER GLY ASN TYR VAL ALA CYS GLY GLY LEU ASP ASN          
SEQRES  11 B  351  ILE CYS SER ILE TYR ASN LEU LYS THR ARG GLU GLY ASN          
SEQRES  12 B  351  VAL ARG VAL SER ARG GLU LEU ALA GLY HIS THR GLY TYR          
SEQRES  13 B  351  LEU SER CYS CYS ARG PHE LEU ASP ASP ASN GLN ILE VAL          
SEQRES  14 B  351  THR SER SER GLY ASP THR THR CYS ALA LEU TRP ASP ILE          
SEQRES  15 B  351  GLU THR GLY GLN GLN THR THR THR PHE THR GLY HIS THR          
SEQRES  16 B  351  GLY ASP VAL MET SER LEU SER LEU ALA PRO ASP THR ARG          
SEQRES  17 B  351  LEU PHE VAL SER GLY ALA CYS ASP ALA SER ALA LYS LEU          
SEQRES  18 B  351  TRP ASP VAL ARG GLU GLY MET CYS ARG GLN THR PHE THR          
SEQRES  19 B  351  GLY HIS GLU SER ASP ILE ASN ALA ILE CYS PHE PHE PRO          
SEQRES  20 B  351  ASN GLY ASN ALA PHE ALA THR GLY SER ASP ASP ALA THR          
SEQRES  21 B  351  CYS ARG LEU PHE ASP LEU ARG ALA ASP GLN GLU LEU MET          
SEQRES  22 B  351  THR TYR SER HIS ASP ASN ILE ILE CYS GLY ILE THR SER          
SEQRES  23 B  351  VAL SER PHE SER LYS SER GLY ARG LEU LEU LEU ALA GLY          
SEQRES  24 B  351  TYR ASP ASP PHE ASN CYS ASN VAL TRP ASP ALA LEU LYS          
SEQRES  25 B  351  ALA ASP ARG ALA GLY VAL LEU ALA GLY HIS ASP ASN ARG          
SEQRES  26 B  351  VAL SER CYS LEU GLY VAL THR ASP ASP GLY MET ALA VAL          
SEQRES  27 B  351  ALA THR GLY SER TRP ASP SER PHE LEU LYS ILE TRP ASN          
SEQRES   1 G   71  MET ALA SER ASN ASN THR ALA SER ILE ALA GLN ALA ARG          
SEQRES   2 G   71  LYS LEU VAL GLU GLN LEU LYS MET GLU ALA ASN ILE ASP          
SEQRES   3 G   71  ARG ILE LYS VAL SER LYS ALA ALA ALA ASP LEU MET ALA          
SEQRES   4 G   71  TYR CYS GLU ALA HIS ALA LYS GLU ASP PRO LEU LEU THR          
SEQRES   5 G   71  PRO VAL PRO ALA SER GLU ASN PRO PHE ARG GLU LYS LYS          
SEQRES   6 G   71  PHE PHE CYS ALA ILE LEU                                      
SEQRES   1 L  215  SER ASP ILE GLN MET THR GLN SER PRO SER SER LEU SER          
SEQRES   2 L  215  ALA SER VAL GLY ASP ARG VAL THR ILE THR CYS ARG ALA          
SEQRES   3 L  215  SER GLN SER VAL SER SER ALA VAL ALA TRP TYR GLN GLN          
SEQRES   4 L  215  LYS PRO GLY LYS ALA PRO LYS LEU LEU ILE TYR SER ALA          
SEQRES   5 L  215  SER SER LEU TYR SER GLY VAL PRO SER ARG PHE SER GLY          
SEQRES   6 L  215  SER ARG SER GLY THR ASP PHE THR LEU THR ILE SER SER          
SEQRES   7 L  215  LEU GLN PRO GLU ASP PHE ALA THR TYR TYR CYS GLN GLN          
SEQRES   8 L  215  SER SER SER SER LEU ILE THR PHE GLY GLN GLY THR LYS          
SEQRES   9 L  215  VAL GLU ILE LYS ARG THR VAL ALA ALA PRO SER VAL PHE          
SEQRES  10 L  215  ILE PHE PRO PRO SER ASP SER GLN LEU LYS SER GLY THR          
SEQRES  11 L  215  ALA SER VAL VAL CYS LEU LEU ASN ASN PHE TYR PRO ARG          
SEQRES  12 L  215  GLU ALA LYS VAL GLN TRP LYS VAL ASP ASN ALA LEU GLN          
SEQRES  13 L  215  SER GLY ASN SER GLN GLU SER VAL THR GLU GLN ASP SER          
SEQRES  14 L  215  LYS ASP SER THR TYR SER LEU SER SER THR LEU THR LEU          
SEQRES  15 L  215  SER LYS ALA ASP TYR GLU LYS HIS LYS VAL TYR ALA CYS          
SEQRES  16 L  215  GLU VAL THR HIS GLN GLY LEU SER SER PRO VAL THR LYS          
SEQRES  17 L  215  SER PHE ASN ARG GLY GLU CYS                                  
SEQRES   1 H  239  GLU ILE SER GLU VAL GLN LEU VAL GLU SER GLY GLY GLY          
SEQRES   2 H  239  LEU VAL GLN PRO GLY GLY SER LEU ARG LEU SER CYS ALA          
SEQRES   3 H  239  ALA SER GLY PHE ASN PHE TYR TYR SER SER ILE HIS TRP          
SEQRES   4 H  239  VAL ARG GLN ALA PRO GLY LYS GLY LEU GLU TRP VAL ALA          
SEQRES   5 H  239  SER ILE TYR SER TYR SER GLY SER THR SER TYR ALA ASP          
SEQRES   6 H  239  SER VAL LYS GLY ARG PHE THR ILE SER ALA ASP THR SER          
SEQRES   7 H  239  LYS ASN THR ALA TYR LEU GLN MET ASN SER LEU ARG ALA          
SEQRES   8 H  239  GLU ASP THR ALA VAL TYR TYR CYS ALA ARG TYR PRO TRP          
SEQRES   9 H  239  TYR TRP TRP MET GLU LYS PRO TYR LEU SER LEU TYR GLY          
SEQRES  10 H  239  MET ASP TYR TRP GLY GLN GLY THR LEU VAL THR VAL SER          
SEQRES  11 H  239  SER ALA SER THR LYS GLY PRO SER VAL PHE PRO LEU ALA          
SEQRES  12 H  239  PRO SER SER LYS SER THR SER GLY GLY THR ALA ALA LEU          
SEQRES  13 H  239  GLY CYS LEU VAL LYS ASP TYR PHE PRO GLU PRO VAL THR          
SEQRES  14 H  239  VAL SER TRP ASN SER GLY ALA LEU THR SER GLY VAL HIS          
SEQRES  15 H  239  THR PHE PRO ALA VAL LEU GLN SER SER GLY LEU TYR SER          
SEQRES  16 H  239  LEU SER SER VAL VAL THR VAL PRO SER SER SER LEU GLY          
SEQRES  17 H  239  THR GLN THR TYR ILE CYS ASN VAL ASN HIS LYS PRO SER          
SEQRES  18 H  239  ASN THR LYS VAL ASP LYS LYS VAL GLU PRO LYS SER CYS          
SEQRES  19 H  239  ASP LYS THR HIS THR                                          
HET    CO1  R 601      29                                                       
HETNAM     CO1 17-[3-(3,3-DIMETHYL-OXIRANYL)-1-METHYL-PROPYL]-10,13-            
HETNAM   2 CO1  DIMETHYL-2,3,4,7,8,9,10,11,12,13,14,15,16,17-                   
HETNAM   3 CO1  TETRADECAHYDRO-1H-CYCLOPENTA[A]PHENANTHREN-3-OL                 
HETSYN     CO1 24,25(S)-EPOXYCHOLESTEROL                                        
FORMUL   7  CO1    C27 H44 O2                                                   
HELIX    1 AA1 THR R  223  ASP R  255  1                                  33    
HELIX    2 AA2 PRO R  263  CYS R  273  1                                  11    
HELIX    3 AA3 PHE R  274  TRP R  281  1                                   8    
HELIX    4 AA4 GLU R  305  ASN R  309  5                                   5    
HELIX    5 AA5 CYS R  314  ALA R  345  1                                  32    
HELIX    6 AA6 LYS R  356  LEU R  376  1                                  21    
HELIX    7 AA7 TYR R  397  LEU R  426  1                                  30    
HELIX    8 AA8 SER R  438  VAL R  494  1                                  57    
HELIX    9 AA9 VAL R  517  MET R  532  1                                  16    
HELIX   10 AB1 ALA R  540  ARG R  551  1                                  12    
HELIX   11 AB2 CYS A    3  GLU A   25  1                                  23    
HELIX   12 AB3 ASP A   26  ALA A   31  1                                   6    
HELIX   13 AB4 GLY A   42  LYS A   54  1                                  13    
HELIX   14 AB5 GLU A   65  LEU A   91  1                                  27    
HELIX   15 AB6 ARG A  100  GLY A  112  1                                  13    
HELIX   16 AB7 THR A  120  TRP A  131  1                                  12    
HELIX   17 AB8 SER A  134  ASN A  141  1                                   8    
HELIX   18 AB9 ARG A  142  TYR A  146  5                                   5    
HELIX   19 AC1 SER A  151  ASP A  158  1                                   8    
HELIX   20 AC2 ASP A  158  GLN A  164  1                                   7    
HELIX   21 AC3 THR A  170  ARG A  178  1                                   9    
HELIX   22 AC4 LYS A  210  PHE A  215  5                                   6    
HELIX   23 AC5 ASN A  241  ASN A  255  1                                  15    
HELIX   24 AC6 LYS A  271  SER A  281  1                                  11    
HELIX   25 AC7 THR A  295  ASP A  309  1                                  15    
HELIX   26 AC8 ASP A  328  GLY A  352  1                                  25    
HELIX   27 AC9 GLU B    3  CYS B   25  1                                  23    
HELIX   28 AD1 THR B   29  THR B   34  1                                   6    
HELIX   29 AD2 THR G    6  GLU G   22  1                                  17    
HELIX   30 AD3 LYS G   29  ALA G   43  1                                  15    
HELIX   31 AD4 ARG H   90  THR H   94  5                                   5    
SHEET    1 AA1 2 LEU R 197  ARG R 199  0                                        
SHEET    2 AA1 2 CYS R 213  ILE R 215 -1  O  GLY R 214   N  VAL R 198           
SHEET    1 AA2 5 THR A 187  PHE A 191  0                                        
SHEET    2 AA2 5 LEU A 194  MET A 198 -1  O  PHE A 196   N  PHE A 189           
SHEET    3 AA2 5 GLU A  33  GLY A  40  1  N  VAL A  34   O  LYS A 197           
SHEET    4 AA2 5 ALA A 220  VAL A 225  1  O  ILE A 222   N  LEU A  37           
SHEET    5 AA2 5 SER A 263  LEU A 268  1  O  PHE A 267   N  VAL A 225           
SHEET    1 AA3 4 THR B  47  LEU B  51  0                                        
SHEET    2 AA3 4 LEU B 336  TRP B 339 -1  O  ILE B 338   N  ARG B  48           
SHEET    3 AA3 4 VAL B 327  SER B 331 -1  N  THR B 329   O  LYS B 337           
SHEET    4 AA3 4 VAL B 315  VAL B 320 -1  N  CYS B 317   O  GLY B 330           
SHEET    1 AA4 4 ALA B  60  TRP B  63  0                                        
SHEET    2 AA4 4 LEU B  69  ALA B  73 -1  O  VAL B  71   N  HIS B  62           
SHEET    3 AA4 4 LYS B  78  ASP B  83 -1  O  TRP B  82   N  LEU B  70           
SHEET    4 AA4 4 LYS B  89  PRO B  94 -1  O  HIS B  91   N  ILE B  81           
SHEET    1 AA5 4 VAL B 100  TYR B 105  0                                        
SHEET    2 AA5 4 TYR B 111  GLY B 116 -1  O  ALA B 113   N  ALA B 104           
SHEET    3 AA5 4 ILE B 120  ASN B 125 -1  O  SER B 122   N  CYS B 114           
SHEET    4 AA5 4 ARG B 134  ALA B 140 -1  O  LEU B 139   N  CYS B 121           
SHEET    1 AA6 4 CYS B 149  PHE B 151  0                                        
SHEET    2 AA6 4 GLN B 156  SER B 160 -1  O  VAL B 158   N  ARG B 150           
SHEET    3 AA6 4 THR B 165  ASP B 170 -1  O  TRP B 169   N  ILE B 157           
SHEET    4 AA6 4 GLN B 175  THR B 181 -1  O  PHE B 180   N  CYS B 166           
SHEET    1 AA7 4 VAL B 187  LEU B 192  0                                        
SHEET    2 AA7 4 LEU B 198  ALA B 203 -1  O  GLY B 202   N  MET B 188           
SHEET    3 AA7 4 ALA B 208  ASP B 212 -1  O  TRP B 211   N  PHE B 199           
SHEET    4 AA7 4 CYS B 218  PHE B 222 -1  O  GLN B 220   N  LEU B 210           
SHEET    1 AA8 4 CYS B 233  PHE B 234  0                                        
SHEET    2 AA8 4 ALA B 240  ALA B 242 -1  O  ALA B 242   N  CYS B 233           
SHEET    3 AA8 4 ARG B 251  ASP B 254 -1  O  PHE B 253   N  PHE B 241           
SHEET    4 AA8 4 GLN B 259  THR B 263 -1  O  LEU B 261   N  LEU B 252           
SHEET    1 AA9 2 LEU B 284  GLY B 288  0                                        
SHEET    2 AA9 2 CYS B 294  ASP B 298 -1  O  TRP B 297   N  LEU B 285           
SHEET    1 AB1 4 GLN L   7  PRO L   9  0                                        
SHEET    2 AB1 4 VAL L  20  ALA L  26 -1  O  ARG L  25   N  SER L   8           
SHEET    3 AB1 4 ASP L  71  ILE L  76 -1  O  LEU L  74   N  ILE L  22           
SHEET    4 AB1 4 PHE L  63  SER L  68 -1  N  SER L  64   O  THR L  75           
SHEET    1 AB2 5 SER L  54  LEU L  55  0                                        
SHEET    2 AB2 5 PRO L  45  TYR L  50 -1  N  TYR L  50   O  SER L  54           
SHEET    3 AB2 5 VAL L  34  GLN L  39 -1  N  GLN L  38   O  LYS L  46           
SHEET    4 AB2 5 THR L  86  GLN L  91 -1  O  TYR L  88   N  TYR L  37           
SHEET    5 AB2 5 THR L 103  LYS L 104 -1  O  THR L 103   N  TYR L  87           
SHEET    1 AB3 4 LEU H   7  SER H  10  0                                        
SHEET    2 AB3 4 ARG H  22  ALA H  27 -1  O  ALA H  26   N  VAL H   8           
SHEET    3 AB3 4 THR H  81  MET H  86 -1  O  ALA H  82   N  CYS H  25           
SHEET    4 AB3 4 PHE H  71  ALA H  75 -1  N  SER H  74   O  TYR H  83           
SHEET    1 AB4 6 GLY H  13  LEU H  14  0                                        
SHEET    2 AB4 6 THR H 125  THR H 128  1  O  THR H 128   N  GLY H  13           
SHEET    3 AB4 6 ALA H  95  TYR H 102 -1  N  ALA H  95   O  VAL H 127           
SHEET    4 AB4 6 SER H  36  GLN H  42 -1  N  HIS H  38   O  ALA H 100           
SHEET    5 AB4 6 LEU H  48  TYR H  55 -1  O  ALA H  52   N  TRP H  39           
SHEET    6 AB4 6 SER H  62  TYR H  63 -1  O  SER H  62   N  SER H  53           
SSBOND   1 CYS R  193    CYS R  213                          1555   1555  2.03  
SSBOND   2 CYS R  490    CYS R  507                          1555   1555  2.02  
SSBOND   3 CYS H   25    CYS H   99                          1555   1555  2.03  
SITE     1 AC1  6 PHE R 391  VAL R 392  GLY R 393  HIS R 470                    
SITE     2 AC1  6 ASN R 521  MET R 525                                          
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1                      
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.007315  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.007669  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.008511        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
DBGET integrated database retrieval system