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Database: PDB
Entry: 6DMY
LinkDB: 6DMY
Original site: 6DMY 
HEADER    PROTEIN BINDING                         05-JUN-18   6DMY              
TITLE     CRYO-EM STRUCTURE OF HUMAN PTCH1 AND SHHN COMPLEX                     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PROTEIN PATCHED HOMOLOG 1;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: PTC1;                                                       
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MOL_ID: 2;                                                           
COMPND   7 MOLECULE: SONIC HEDGEHOG PROTEIN;                                    
COMPND   8 CHAIN: B;                                                            
COMPND   9 SYNONYM: SHH,HHG-1,SHH UNPROCESSED N-TERMINAL SIGNALING AND C-       
COMPND  10 TERMINAL AUTOPROCESSING DOMAINS,SHHNC;                               
COMPND  11 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: PTCH1, PTCH;                                                   
SOURCE   6 EXPRESSION_SYSTEM: HOMO SAPIENS;                                     
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 9606;                                       
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: SHH;                                                           
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI 'BL21-GOLD(DE3)PLYSS AG';        
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 866768                                      
KEYWDS    RECEPTOR, RND FAMILY, PROTEIN BINDING                                 
EXPDTA    ELECTRON MICROSCOPY                                                   
AUTHOR    N.YAN,X.GONG,H.W.QIAN                                                 
REVDAT   4   29-JUL-20 6DMY    1       COMPND REMARK HETNAM LINK                
REVDAT   4 2                   1       SITE   ATOM                              
REVDAT   3   18-DEC-19 6DMY    1       SCALE                                    
REVDAT   2   22-AUG-18 6DMY    1       JRNL                                     
REVDAT   1   11-JUL-18 6DMY    0                                                
JRNL        AUTH   X.GONG,H.QIAN,P.CAO,X.ZHAO,Q.ZHOU,J.LEI,N.YAN                
JRNL        TITL   STRUCTURAL BASIS FOR THE RECOGNITION OF SONIC HEDGEHOG BY    
JRNL        TITL 2 HUMAN PATCHED1.                                              
JRNL        REF    SCIENCE                       V. 361       2018              
JRNL        REFN                   ESSN 1095-9203                               
JRNL        PMID   29954986                                                     
JRNL        DOI    10.1126/SCIENCE.AAS8935                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    3.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   SOFTWARE PACKAGES      : GCTF, RELION, RELION, RELION              
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)  : 3.600                          
REMARK   3   NUMBER OF PARTICLES               : 137823                         
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 6DMY COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 06-JUN-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000234941.                                   
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                 : PATCH1                            
REMARK 245   SAMPLE CONCENTRATION (MG ML-1) : 15.00                             
REMARK 245   SAMPLE SUPPORT DETAILS         : NULL                              
REMARK 245   SAMPLE VITRIFICATION DETAILS   : NULL                              
REMARK 245   SAMPLE BUFFER                  : NULL                              
REMARK 245   PH                             : 8.00                              
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                      : BRIGHT FIELD                   
REMARK 245   ELECTRON DOSE (ELECTRONS NM**-2)  : 50.00                          
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: DIMERIC                           
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B, C                               
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 A   -20                                                      
REMARK 465     ALA A   -19                                                      
REMARK 465     ASP A   -18                                                      
REMARK 465     TYR A   -17                                                      
REMARK 465     LYS A   -16                                                      
REMARK 465     ASP A   -15                                                      
REMARK 465     ASP A   -14                                                      
REMARK 465     ASP A   -13                                                      
REMARK 465     ASP A   -12                                                      
REMARK 465     LYS A   -11                                                      
REMARK 465     SER A   -10                                                      
REMARK 465     GLY A    -9                                                      
REMARK 465     PRO A    -8                                                      
REMARK 465     ASP A    -7                                                      
REMARK 465     GLU A    -6                                                      
REMARK 465     VAL A    -5                                                      
REMARK 465     ASP A    -4                                                      
REMARK 465     ALA A    -3                                                      
REMARK 465     SER A    -2                                                      
REMARK 465     GLY A    -1                                                      
REMARK 465     ARG A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     ALA A     2                                                      
REMARK 465     SER A     3                                                      
REMARK 465     ALA A     4                                                      
REMARK 465     GLY A     5                                                      
REMARK 465     ASN A     6                                                      
REMARK 465     ALA A     7                                                      
REMARK 465     ALA A     8                                                      
REMARK 465     GLU A     9                                                      
REMARK 465     PRO A    10                                                      
REMARK 465     GLN A    11                                                      
REMARK 465     ASP A    12                                                      
REMARK 465     ARG A    13                                                      
REMARK 465     GLY A    14                                                      
REMARK 465     GLY A    15                                                      
REMARK 465     GLY A    16                                                      
REMARK 465     GLY A    17                                                      
REMARK 465     SER A    18                                                      
REMARK 465     GLY A    19                                                      
REMARK 465     CYS A    20                                                      
REMARK 465     ILE A    21                                                      
REMARK 465     GLY A    22                                                      
REMARK 465     ALA A    23                                                      
REMARK 465     PRO A    24                                                      
REMARK 465     GLY A    25                                                      
REMARK 465     ARG A    26                                                      
REMARK 465     PRO A    27                                                      
REMARK 465     ALA A    28                                                      
REMARK 465     GLY A    29                                                      
REMARK 465     GLY A    30                                                      
REMARK 465     GLY A    31                                                      
REMARK 465     ARG A    32                                                      
REMARK 465     ARG A    33                                                      
REMARK 465     ARG A    34                                                      
REMARK 465     ARG A    35                                                      
REMARK 465     THR A    36                                                      
REMARK 465     GLY A    37                                                      
REMARK 465     GLY A    38                                                      
REMARK 465     LEU A    39                                                      
REMARK 465     ARG A    40                                                      
REMARK 465     ARG A    41                                                      
REMARK 465     ALA A    42                                                      
REMARK 465     ALA A    43                                                      
REMARK 465     ALA A    44                                                      
REMARK 465     PRO A    45                                                      
REMARK 465     ASP A    46                                                      
REMARK 465     ARG A    47                                                      
REMARK 465     ASP A    48                                                      
REMARK 465     TYR A    49                                                      
REMARK 465     LEU A    50                                                      
REMARK 465     HIS A    51                                                      
REMARK 465     ARG A    52                                                      
REMARK 465     PRO A    53                                                      
REMARK 465     SER A    54                                                      
REMARK 465     TYR A    55                                                      
REMARK 465     CYS A    56                                                      
REMARK 465     ASP A    57                                                      
REMARK 465     ALA A    58                                                      
REMARK 465     ALA A    59                                                      
REMARK 465     PHE A    60                                                      
REMARK 465     ALA A    61                                                      
REMARK 465     LEU A    62                                                      
REMARK 465     GLU A    63                                                      
REMARK 465     GLN A    64                                                      
REMARK 465     ILE A    65                                                      
REMARK 465     SER A    66                                                      
REMARK 465     LYS A    67                                                      
REMARK 465     GLY A    68                                                      
REMARK 465     LYS A    69                                                      
REMARK 465     ALA A    70                                                      
REMARK 465     THR A    71                                                      
REMARK 465     GLY A    72                                                      
REMARK 465     LEU A   608                                                      
REMARK 465     ASP A   609                                                      
REMARK 465     ILE A   610                                                      
REMARK 465     PHE A   611                                                      
REMARK 465     CYS A   612                                                      
REMARK 465     CYS A   613                                                      
REMARK 465     PHE A   614                                                      
REMARK 465     THR A   615                                                      
REMARK 465     SER A   616                                                      
REMARK 465     PRO A   617                                                      
REMARK 465     CYS A   618                                                      
REMARK 465     VAL A   619                                                      
REMARK 465     SER A   620                                                      
REMARK 465     ARG A   621                                                      
REMARK 465     VAL A   622                                                      
REMARK 465     ILE A   623                                                      
REMARK 465     GLN A   624                                                      
REMARK 465     VAL A   625                                                      
REMARK 465     GLU A   626                                                      
REMARK 465     PRO A   627                                                      
REMARK 465     GLN A   628                                                      
REMARK 465     ALA A   629                                                      
REMARK 465     TYR A   630                                                      
REMARK 465     THR A   631                                                      
REMARK 465     ASP A   632                                                      
REMARK 465     THR A   633                                                      
REMARK 465     HIS A   634                                                      
REMARK 465     ASP A   635                                                      
REMARK 465     ASN A   636                                                      
REMARK 465     THR A   637                                                      
REMARK 465     ARG A   638                                                      
REMARK 465     TYR A   639                                                      
REMARK 465     SER A   640                                                      
REMARK 465     PRO A   641                                                      
REMARK 465     PRO A   642                                                      
REMARK 465     PRO A   643                                                      
REMARK 465     PRO A   644                                                      
REMARK 465     TYR A   645                                                      
REMARK 465     SER A   646                                                      
REMARK 465     SER A   647                                                      
REMARK 465     HIS A   648                                                      
REMARK 465     SER A   649                                                      
REMARK 465     PHE A   650                                                      
REMARK 465     ALA A   651                                                      
REMARK 465     HIS A   652                                                      
REMARK 465     GLU A   653                                                      
REMARK 465     THR A   654                                                      
REMARK 465     GLN A   655                                                      
REMARK 465     ILE A   656                                                      
REMARK 465     THR A   657                                                      
REMARK 465     MET A   658                                                      
REMARK 465     GLN A   659                                                      
REMARK 465     SER A   660                                                      
REMARK 465     THR A   661                                                      
REMARK 465     VAL A   662                                                      
REMARK 465     GLN A   663                                                      
REMARK 465     LEU A   664                                                      
REMARK 465     ARG A   665                                                      
REMARK 465     THR A   666                                                      
REMARK 465     GLU A   667                                                      
REMARK 465     TYR A   668                                                      
REMARK 465     ASP A   669                                                      
REMARK 465     PRO A   670                                                      
REMARK 465     HIS A   671                                                      
REMARK 465     THR A   672                                                      
REMARK 465     HIS A   673                                                      
REMARK 465     VAL A   674                                                      
REMARK 465     TYR A   675                                                      
REMARK 465     TYR A   676                                                      
REMARK 465     THR A   677                                                      
REMARK 465     THR A   678                                                      
REMARK 465     ALA A   679                                                      
REMARK 465     GLU A   680                                                      
REMARK 465     PRO A   681                                                      
REMARK 465     ARG A   682                                                      
REMARK 465     SER A   683                                                      
REMARK 465     GLU A   684                                                      
REMARK 465     ILE A   685                                                      
REMARK 465     SER A   686                                                      
REMARK 465     VAL A   687                                                      
REMARK 465     GLN A   688                                                      
REMARK 465     PRO A   689                                                      
REMARK 465     VAL A   690                                                      
REMARK 465     THR A   691                                                      
REMARK 465     VAL A   692                                                      
REMARK 465     THR A   693                                                      
REMARK 465     GLN A   694                                                      
REMARK 465     ASP A   695                                                      
REMARK 465     THR A   696                                                      
REMARK 465     LEU A   697                                                      
REMARK 465     SER A   698                                                      
REMARK 465     CYS A   699                                                      
REMARK 465     GLN A   700                                                      
REMARK 465     SER A   701                                                      
REMARK 465     PRO A   702                                                      
REMARK 465     GLU A   703                                                      
REMARK 465     SER A   704                                                      
REMARK 465     THR A   705                                                      
REMARK 465     SER A   706                                                      
REMARK 465     SER A   707                                                      
REMARK 465     THR A   708                                                      
REMARK 465     ARG A   709                                                      
REMARK 465     ASP A   710                                                      
REMARK 465     LEU A   711                                                      
REMARK 465     LEU A   712                                                      
REMARK 465     SER A   713                                                      
REMARK 465     GLN A   714                                                      
REMARK 465     PHE A   715                                                      
REMARK 465     SER A   716                                                      
REMARK 465     ASP A   717                                                      
REMARK 465     SER A   718                                                      
REMARK 465     SER A   719                                                      
REMARK 465     LEU A   720                                                      
REMARK 465     HIS A   721                                                      
REMARK 465     CYS A   722                                                      
REMARK 465     LEU A   723                                                      
REMARK 465     GLU A   724                                                      
REMARK 465     PRO A   725                                                      
REMARK 465     PRO A   726                                                      
REMARK 465     CYS A   727                                                      
REMARK 465     THR A   728                                                      
REMARK 465     PRO A  1186                                                      
REMARK 465     ALA A  1187                                                      
REMARK 465     ASN A  1188                                                      
REMARK 465     GLY A  1189                                                      
REMARK 465     LEU A  1190                                                      
REMARK 465     ASN A  1191                                                      
REMARK 465     ARG A  1192                                                      
REMARK 465     LEU A  1193                                                      
REMARK 465     PRO A  1194                                                      
REMARK 465     THR A  1195                                                      
REMARK 465     PRO A  1196                                                      
REMARK 465     SER A  1197                                                      
REMARK 465     PRO A  1198                                                      
REMARK 465     GLU A  1199                                                      
REMARK 465     PRO A  1200                                                      
REMARK 465     PRO A  1201                                                      
REMARK 465     PRO A  1202                                                      
REMARK 465     SER A  1203                                                      
REMARK 465     VAL A  1204                                                      
REMARK 465     VAL A  1205                                                      
REMARK 465     ARG A  1206                                                      
REMARK 465     PHE A  1207                                                      
REMARK 465     ALA A  1208                                                      
REMARK 465     MET A  1209                                                      
REMARK 465     PRO A  1210                                                      
REMARK 465     PRO A  1211                                                      
REMARK 465     GLY A  1212                                                      
REMARK 465     HIS A  1213                                                      
REMARK 465     THR A  1214                                                      
REMARK 465     HIS A  1215                                                      
REMARK 465     SER A  1216                                                      
REMARK 465     GLY A  1217                                                      
REMARK 465     SER A  1218                                                      
REMARK 465     ASP A  1219                                                      
REMARK 465     SER A  1220                                                      
REMARK 465     SER A  1221                                                      
REMARK 465     ASP A  1222                                                      
REMARK 465     SER A  1223                                                      
REMARK 465     GLU A  1224                                                      
REMARK 465     TYR A  1225                                                      
REMARK 465     SER A  1226                                                      
REMARK 465     SER A  1227                                                      
REMARK 465     GLN A  1228                                                      
REMARK 465     THR A  1229                                                      
REMARK 465     THR A  1230                                                      
REMARK 465     VAL A  1231                                                      
REMARK 465     SER A  1232                                                      
REMARK 465     GLY A  1233                                                      
REMARK 465     LEU A  1234                                                      
REMARK 465     SER A  1235                                                      
REMARK 465     GLU A  1236                                                      
REMARK 465     GLU A  1237                                                      
REMARK 465     LEU A  1238                                                      
REMARK 465     ARG A  1239                                                      
REMARK 465     HIS A  1240                                                      
REMARK 465     TYR A  1241                                                      
REMARK 465     GLU A  1242                                                      
REMARK 465     ALA A  1243                                                      
REMARK 465     GLN A  1244                                                      
REMARK 465     GLN A  1245                                                      
REMARK 465     GLY A  1246                                                      
REMARK 465     ALA A  1247                                                      
REMARK 465     GLY A  1248                                                      
REMARK 465     GLY A  1249                                                      
REMARK 465     PRO A  1250                                                      
REMARK 465     ALA A  1251                                                      
REMARK 465     HIS A  1252                                                      
REMARK 465     GLN A  1253                                                      
REMARK 465     VAL A  1254                                                      
REMARK 465     ILE A  1255                                                      
REMARK 465     VAL A  1256                                                      
REMARK 465     GLU A  1257                                                      
REMARK 465     ALA A  1258                                                      
REMARK 465     THR A  1259                                                      
REMARK 465     GLU A  1260                                                      
REMARK 465     ASN A  1261                                                      
REMARK 465     PRO A  1262                                                      
REMARK 465     VAL A  1263                                                      
REMARK 465     PHE A  1264                                                      
REMARK 465     ALA A  1265                                                      
REMARK 465     HIS A  1266                                                      
REMARK 465     SER A  1267                                                      
REMARK 465     THR A  1268                                                      
REMARK 465     VAL A  1269                                                      
REMARK 465     VAL A  1270                                                      
REMARK 465     HIS A  1271                                                      
REMARK 465     PRO A  1272                                                      
REMARK 465     GLU A  1273                                                      
REMARK 465     SER A  1274                                                      
REMARK 465     ARG A  1275                                                      
REMARK 465     HIS A  1276                                                      
REMARK 465     HIS A  1277                                                      
REMARK 465     PRO A  1278                                                      
REMARK 465     PRO A  1279                                                      
REMARK 465     SER A  1280                                                      
REMARK 465     ASN A  1281                                                      
REMARK 465     PRO A  1282                                                      
REMARK 465     ARG A  1283                                                      
REMARK 465     GLN A  1284                                                      
REMARK 465     GLN A  1285                                                      
REMARK 465     PRO A  1286                                                      
REMARK 465     HIS A  1287                                                      
REMARK 465     LEU A  1288                                                      
REMARK 465     ASP A  1289                                                      
REMARK 465     SER A  1290                                                      
REMARK 465     GLY A  1291                                                      
REMARK 465     SER A  1292                                                      
REMARK 465     LEU A  1293                                                      
REMARK 465     PRO A  1294                                                      
REMARK 465     PRO A  1295                                                      
REMARK 465     GLY A  1296                                                      
REMARK 465     ARG A  1297                                                      
REMARK 465     GLN A  1298                                                      
REMARK 465     GLY A  1299                                                      
REMARK 465     GLN A  1300                                                      
REMARK 465     GLN A  1301                                                      
REMARK 465     PRO A  1302                                                      
REMARK 465     ARG A  1303                                                      
REMARK 465     ARG A  1304                                                      
REMARK 465     ASP A  1305                                                      
REMARK 465     LEU A  1306                                                      
REMARK 465     GLU A  1307                                                      
REMARK 465     GLY A  1308                                                      
REMARK 465     SER A  1309                                                      
REMARK 465     ASP A  1310                                                      
REMARK 465     GLU A  1311                                                      
REMARK 465     VAL A  1312                                                      
REMARK 465     ASP A  1313                                                      
REMARK 465     ALA A  1314                                                      
REMARK 465     VAL A  1315                                                      
REMARK 465     GLU A  1316                                                      
REMARK 465     GLY A  1317                                                      
REMARK 465     SER A  1318                                                      
REMARK 465     HIS A  1319                                                      
REMARK 465     HIS A  1320                                                      
REMARK 465     HIS A  1321                                                      
REMARK 465     HIS A  1322                                                      
REMARK 465     HIS A  1323                                                      
REMARK 465     HIS A  1324                                                      
REMARK 465     HIS A  1325                                                      
REMARK 465     HIS A  1326                                                      
REMARK 465     HIS A  1327                                                      
REMARK 465     HIS A  1328                                                      
REMARK 465     ALA B    21                                                      
REMARK 465     HIS B    22                                                      
REMARK 465     MET B    23                                                      
REMARK 465     CYS B    24                                                      
REMARK 465     GLY B    25                                                      
REMARK 465     PRO B    26                                                      
REMARK 465     GLY B    27                                                      
REMARK 465     ARG B    28                                                      
REMARK 465     GLY B    29                                                      
REMARK 465     PHE B    30                                                      
REMARK 465     GLY B    31                                                      
REMARK 465     LYS B    32                                                      
REMARK 465     ARG B    33                                                      
REMARK 465     ARG B    34                                                      
REMARK 465     HIS B    35                                                      
REMARK 465     PRO B    36                                                      
REMARK 465     LYS B    37                                                      
REMARK 465     LYS B    38                                                      
REMARK 465     SER B   190                                                      
REMARK 465     VAL B   191                                                      
REMARK 465     ALA B   192                                                      
REMARK 465     ALA B   193                                                      
REMARK 465     LYS B   194                                                      
REMARK 465     SER B   195                                                      
REMARK 465     GLY B   196                                                      
REMARK 465     GLY B   197                                                      
REMARK 470                                                                      
REMARK 470 MISSING ATOM                                                         
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 470 I=INSERTION CODE):                                                   
REMARK 470   M RES CSSEQI  ATOMS                                                
REMARK 470     ARG A  73    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A 729    CG   CD   CE   NZ                                   
REMARK 470     TRP A 730    CG   CD1  CD2  NE1  CE2  CE3  CZ2                   
REMARK 470     TRP A 730    CZ3  CH2                                            
REMARK 470     THR A 731    OG1  CG2                                            
REMARK 470     LEU A 732    CG   CD1  CD2                                       
REMARK 470     SER A 733    OG                                                  
REMARK 470     SER A 734    OG                                                  
REMARK 470     PHE A 735    CG   CD1  CD2  CE1  CE2  CZ                         
REMARK 470     GLU A 737    CG   CD   OE1  OE2                                  
REMARK 470     VAL A1184    CG1  CG2                                            
REMARK 470     SER A1185    OG                                                  
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   C    ASN B   189     N    SER B   201              1.33            
REMARK 500   CB   ARG A   906     OD2  ASP A   909              1.72            
REMARK 500   O    GLU A   122     ND2  ASN A   124              1.80            
REMARK 500   O    GLY A   866     CD1  ILE A   868              2.01            
REMARK 500   NH1  ARG A  1114     CG   PRO A  1182              2.13            
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    ASN A 915   C     PRO A 916   N      -0.118                       
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    LEU A 323   CA  -  CB  -  CG  ANGL. DEV. =  15.7 DEGREES          
REMARK 500    LEU A 476   CA  -  CB  -  CG  ANGL. DEV. =  22.4 DEGREES          
REMARK 500    PRO A 896   CA  -  N   -  CD  ANGL. DEV. = -12.2 DEGREES          
REMARK 500    PRO A1180   C   -  N   -  CA  ANGL. DEV. =  14.4 DEGREES          
REMARK 500    PRO A1180   C   -  N   -  CD  ANGL. DEV. = -13.7 DEGREES          
REMARK 500    PRO A1182   C   -  N   -  CA  ANGL. DEV. =  23.7 DEGREES          
REMARK 500    PRO A1182   C   -  N   -  CD  ANGL. DEV. = -21.2 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    ALA A 118       51.01    -95.64                                   
REMARK 500    LEU A 128      -37.56    146.94                                   
REMARK 500    GLU A 131       52.42     85.99                                   
REMARK 500    ARG A 135       -8.24     73.11                                   
REMARK 500    ILE A 147      -51.31   -126.88                                   
REMARK 500    ALA A 151       -8.08     71.96                                   
REMARK 500    MET A 152       -7.32     65.34                                   
REMARK 500    GLU A 165       -7.94     79.44                                   
REMARK 500    ASN A 168       71.96     56.93                                   
REMARK 500    LEU A 170       31.64   -141.43                                   
REMARK 500    LEU A 223      -73.60    -81.48                                   
REMARK 500    TYR A 224       87.51     39.23                                   
REMARK 500    PRO A 225        3.56    -60.61                                   
REMARK 500    CYS A 226       75.40     61.59                                   
REMARK 500    LEU A 227      123.93    -37.95                                   
REMARK 500    GLN A 242      -60.16    -93.95                                   
REMARK 500    THR A 245       71.16     57.72                                   
REMARK 500    ASP A 260       80.46     59.21                                   
REMARK 500    ASN A 272       21.95    -76.33                                   
REMARK 500    HIS A 289       65.45     65.67                                   
REMARK 500    LEU A 297       -7.83     67.79                                   
REMARK 500    PRO A 302        4.72    -67.23                                   
REMARK 500    LEU A 317      -75.29   -106.10                                   
REMARK 500    ASP A 318     -163.06   -175.89                                   
REMARK 500    MET A 319       90.95     67.84                                   
REMARK 500    ALA A 320        6.86     86.20                                   
REMARK 500    VAL A 322      -64.30   -100.31                                   
REMARK 500    LEU A 323       78.91   -100.20                                   
REMARK 500    MET A 335       36.58    -97.34                                   
REMARK 500    ASN A 349      -70.62    -83.91                                   
REMARK 500    VAL A 355      -57.69   -123.12                                   
REMARK 500    ALA A 412       72.11     58.98                                   
REMARK 500    THR A 424       -3.12     52.40                                   
REMARK 500    ARG A 459       76.15     58.94                                   
REMARK 500    SER A 463       -8.85     71.41                                   
REMARK 500    ILE A 531       74.25     36.45                                   
REMARK 500    GLU A 534      -34.97   -131.11                                   
REMARK 500    PRO A 566     -159.91    -73.78                                   
REMARK 500    ILE A 567       78.51     64.35                                   
REMARK 500    LEU A 745       38.24    -96.41                                   
REMARK 500    SER A 799       41.30   -109.52                                   
REMARK 500    GLN A 808      114.69   -161.98                                   
REMARK 500    ALA A 810     -167.95    -78.93                                   
REMARK 500    LYS A 830       -0.33     81.88                                   
REMARK 500    LEU A 834      -80.23    -57.16                                   
REMARK 500    GLU A 835     -177.92    178.11                                   
REMARK 500    MET A 869     -147.16     63.27                                   
REMARK 500    ASP A 909     -167.36    -77.53                                   
REMARK 500    ASP A 911       -9.27     72.23                                   
REMARK 500    PHE A 919      -15.02     63.91                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      58 RAMACHANDRAN OUTLIERS.                        
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 A  224     PRO A  225                 -139.31                    
REMARK 500 ASN A  258     PHE A  259                 -143.36                    
REMARK 500 HIS A  289     GLY A  290                 -147.67                    
REMARK 500 PRO A  316     LEU A  317                  139.22                    
REMARK 500 ASP A  318     MET A  319                  149.65                    
REMARK 500 ALA A  320     LEU A  321                  139.41                    
REMARK 500 SER A  350     THR A  351                 -140.33                    
REMARK 500 LYS A  746     PRO A  747                 -147.79                    
REMARK 500 MET A  833     LEU A  834                 -148.06                    
REMARK 500 ILE A  913     ILE A  914                 -142.78                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 610                                                                      
REMARK 610 MISSING HETEROATOM                                                   
REMARK 610 THE FOLLOWING RESIDUES HAVE MISSING ATOMS (M=MODEL NUMBER;           
REMARK 610 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;          
REMARK 610 I=INSERTION CODE):                                                   
REMARK 610   M RES C SSEQI                                                      
REMARK 610     SER B  201                                                       
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              CA B 204  CA                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 GLU B  89   OE1                                                    
REMARK 620 2 GLU B  89   OE2  52.2                                              
REMARK 620 3 ASP B  95   OD1 118.8 137.3                                        
REMARK 620 4 ASP B  95   OD2  70.0 114.4  51.7                                  
REMARK 620 5 THR B 125   O    86.1 126.6  89.0  69.1                            
REMARK 620 N                    1     2     3     4                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                              ZN B 202  ZN                            
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 HIS B 140   NE2                                                    
REMARK 620 2 ASP B 147   OD1  86.4                                              
REMARK 620 3 ASP B 147   OD2 100.5  59.7                                        
REMARK 620 N                    1     2                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: EMD-7968   RELATED DB: EMDB                              
REMARK 900 CRYO-EM STRUCTURE OF HUMAN PTCH1 AND SHHN COMPLEX                    
DBREF  6DMY A    1  1305  UNP    Q13635   PTC1_HUMAN       1   1305             
DBREF  6DMY B   24   197  UNP    Q15465   SHH_HUMAN       24    197             
SEQADV 6DMY MET A  -20  UNP  Q13635              INITIATING METHIONINE          
SEQADV 6DMY ALA A  -19  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A  -18  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY TYR A  -17  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY LYS A  -16  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A  -15  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A  -14  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A  -13  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A  -12  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY LYS A  -11  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY SER A  -10  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLY A   -9  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY PRO A   -8  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A   -7  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLU A   -6  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY VAL A   -5  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A   -4  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ALA A   -3  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY SER A   -2  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLY A   -1  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ARG A    0  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY LEU A 1306  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLU A 1307  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLY A 1308  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY SER A 1309  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A 1310  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLU A 1311  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY VAL A 1312  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ASP A 1313  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ALA A 1314  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY VAL A 1315  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLU A 1316  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY GLY A 1317  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY SER A 1318  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1319  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1320  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1321  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1322  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1323  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1324  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1325  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1326  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1327  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY HIS A 1328  UNP  Q13635              EXPRESSION TAG                 
SEQADV 6DMY ALA B   21  UNP  Q15465              EXPRESSION TAG                 
SEQADV 6DMY HIS B   22  UNP  Q15465              EXPRESSION TAG                 
SEQADV 6DMY MET B   23  UNP  Q15465              EXPRESSION TAG                 
SEQRES   1 A 1349  MET ALA ASP TYR LYS ASP ASP ASP ASP LYS SER GLY PRO          
SEQRES   2 A 1349  ASP GLU VAL ASP ALA SER GLY ARG MET ALA SER ALA GLY          
SEQRES   3 A 1349  ASN ALA ALA GLU PRO GLN ASP ARG GLY GLY GLY GLY SER          
SEQRES   4 A 1349  GLY CYS ILE GLY ALA PRO GLY ARG PRO ALA GLY GLY GLY          
SEQRES   5 A 1349  ARG ARG ARG ARG THR GLY GLY LEU ARG ARG ALA ALA ALA          
SEQRES   6 A 1349  PRO ASP ARG ASP TYR LEU HIS ARG PRO SER TYR CYS ASP          
SEQRES   7 A 1349  ALA ALA PHE ALA LEU GLU GLN ILE SER LYS GLY LYS ALA          
SEQRES   8 A 1349  THR GLY ARG LYS ALA PRO LEU TRP LEU ARG ALA LYS PHE          
SEQRES   9 A 1349  GLN ARG LEU LEU PHE LYS LEU GLY CYS TYR ILE GLN LYS          
SEQRES  10 A 1349  ASN CYS GLY LYS PHE LEU VAL VAL GLY LEU LEU ILE PHE          
SEQRES  11 A 1349  GLY ALA PHE ALA VAL GLY LEU LYS ALA ALA ASN LEU GLU          
SEQRES  12 A 1349  THR ASN VAL GLU GLU LEU TRP VAL GLU VAL GLY GLY ARG          
SEQRES  13 A 1349  VAL SER ARG GLU LEU ASN TYR THR ARG GLN LYS ILE GLY          
SEQRES  14 A 1349  GLU GLU ALA MET PHE ASN PRO GLN LEU MET ILE GLN THR          
SEQRES  15 A 1349  PRO LYS GLU GLU GLY ALA ASN VAL LEU THR THR GLU ALA          
SEQRES  16 A 1349  LEU LEU GLN HIS LEU ASP SER ALA LEU GLN ALA SER ARG          
SEQRES  17 A 1349  VAL HIS VAL TYR MET TYR ASN ARG GLN TRP LYS LEU GLU          
SEQRES  18 A 1349  HIS LEU CYS TYR LYS SER GLY GLU LEU ILE THR GLU THR          
SEQRES  19 A 1349  GLY TYR MET ASP GLN ILE ILE GLU TYR LEU TYR PRO CYS          
SEQRES  20 A 1349  LEU ILE ILE THR PRO LEU ASP CYS PHE TRP GLU GLY ALA          
SEQRES  21 A 1349  LYS LEU GLN SER GLY THR ALA TYR LEU LEU GLY LYS PRO          
SEQRES  22 A 1349  PRO LEU ARG TRP THR ASN PHE ASP PRO LEU GLU PHE LEU          
SEQRES  23 A 1349  GLU GLU LEU LYS LYS ILE ASN TYR GLN VAL ASP SER TRP          
SEQRES  24 A 1349  GLU GLU MET LEU ASN LYS ALA GLU VAL GLY HIS GLY TYR          
SEQRES  25 A 1349  MET ASP ARG PRO CYS LEU ASN PRO ALA ASP PRO ASP CYS          
SEQRES  26 A 1349  PRO ALA THR ALA PRO ASN LYS ASN SER THR LYS PRO LEU          
SEQRES  27 A 1349  ASP MET ALA LEU VAL LEU ASN GLY GLY CYS HIS GLY LEU          
SEQRES  28 A 1349  SER ARG LYS TYR MET HIS TRP GLN GLU GLU LEU ILE VAL          
SEQRES  29 A 1349  GLY GLY THR VAL LYS ASN SER THR GLY LYS LEU VAL SER          
SEQRES  30 A 1349  ALA HIS ALA LEU GLN THR MET PHE GLN LEU MET THR PRO          
SEQRES  31 A 1349  LYS GLN MET TYR GLU HIS PHE LYS GLY TYR GLU TYR VAL          
SEQRES  32 A 1349  SER HIS ILE ASN TRP ASN GLU ASP LYS ALA ALA ALA ILE          
SEQRES  33 A 1349  LEU GLU ALA TRP GLN ARG THR TYR VAL GLU VAL VAL HIS          
SEQRES  34 A 1349  GLN SER VAL ALA GLN ASN SER THR GLN LYS VAL LEU SER          
SEQRES  35 A 1349  PHE THR THR THR THR LEU ASP ASP ILE LEU LYS SER PHE          
SEQRES  36 A 1349  SER ASP VAL SER VAL ILE ARG VAL ALA SER GLY TYR LEU          
SEQRES  37 A 1349  LEU MET LEU ALA TYR ALA CYS LEU THR MET LEU ARG TRP          
SEQRES  38 A 1349  ASP CYS SER LYS SER GLN GLY ALA VAL GLY LEU ALA GLY          
SEQRES  39 A 1349  VAL LEU LEU VAL ALA LEU SER VAL ALA ALA GLY LEU GLY          
SEQRES  40 A 1349  LEU CYS SER LEU ILE GLY ILE SER PHE ASN ALA ALA THR          
SEQRES  41 A 1349  THR GLN VAL LEU PRO PHE LEU ALA LEU GLY VAL GLY VAL          
SEQRES  42 A 1349  ASP ASP VAL PHE LEU LEU ALA HIS ALA PHE SER GLU THR          
SEQRES  43 A 1349  GLY GLN ASN LYS ARG ILE PRO PHE GLU ASP ARG THR GLY          
SEQRES  44 A 1349  GLU CYS LEU LYS ARG THR GLY ALA SER VAL ALA LEU THR          
SEQRES  45 A 1349  SER ILE SER ASN VAL THR ALA PHE PHE MET ALA ALA LEU          
SEQRES  46 A 1349  ILE PRO ILE PRO ALA LEU ARG ALA PHE SER LEU GLN ALA          
SEQRES  47 A 1349  ALA VAL VAL VAL VAL PHE ASN PHE ALA MET VAL LEU LEU          
SEQRES  48 A 1349  ILE PHE PRO ALA ILE LEU SER MET ASP LEU TYR ARG ARG          
SEQRES  49 A 1349  GLU ASP ARG ARG LEU ASP ILE PHE CYS CYS PHE THR SER          
SEQRES  50 A 1349  PRO CYS VAL SER ARG VAL ILE GLN VAL GLU PRO GLN ALA          
SEQRES  51 A 1349  TYR THR ASP THR HIS ASP ASN THR ARG TYR SER PRO PRO          
SEQRES  52 A 1349  PRO PRO TYR SER SER HIS SER PHE ALA HIS GLU THR GLN          
SEQRES  53 A 1349  ILE THR MET GLN SER THR VAL GLN LEU ARG THR GLU TYR          
SEQRES  54 A 1349  ASP PRO HIS THR HIS VAL TYR TYR THR THR ALA GLU PRO          
SEQRES  55 A 1349  ARG SER GLU ILE SER VAL GLN PRO VAL THR VAL THR GLN          
SEQRES  56 A 1349  ASP THR LEU SER CYS GLN SER PRO GLU SER THR SER SER          
SEQRES  57 A 1349  THR ARG ASP LEU LEU SER GLN PHE SER ASP SER SER LEU          
SEQRES  58 A 1349  HIS CYS LEU GLU PRO PRO CYS THR LYS TRP THR LEU SER          
SEQRES  59 A 1349  SER PHE ALA GLU LYS HIS TYR ALA PRO PHE LEU LEU LYS          
SEQRES  60 A 1349  PRO LYS ALA LYS VAL VAL VAL ILE PHE LEU PHE LEU GLY          
SEQRES  61 A 1349  LEU LEU GLY VAL SER LEU TYR GLY THR THR ARG VAL ARG          
SEQRES  62 A 1349  ASP GLY LEU ASP LEU THR ASP ILE VAL PRO ARG GLU THR          
SEQRES  63 A 1349  ARG GLU TYR ASP PHE ILE ALA ALA GLN PHE LYS TYR PHE          
SEQRES  64 A 1349  SER PHE TYR ASN MET TYR ILE VAL THR GLN LYS ALA ASP          
SEQRES  65 A 1349  TYR PRO ASN ILE GLN HIS LEU LEU TYR ASP LEU HIS ARG          
SEQRES  66 A 1349  SER PHE SER ASN VAL LYS TYR VAL MET LEU GLU GLU ASN          
SEQRES  67 A 1349  LYS GLN LEU PRO LYS MET TRP LEU HIS TYR PHE ARG ASP          
SEQRES  68 A 1349  TRP LEU GLN GLY LEU GLN ASP ALA PHE ASP SER ASP TRP          
SEQRES  69 A 1349  GLU THR GLY LYS ILE MET PRO ASN ASN TYR LYS ASN GLY          
SEQRES  70 A 1349  SER ASP ASP GLY VAL LEU ALA TYR LYS LEU LEU VAL GLN          
SEQRES  71 A 1349  THR GLY SER ARG ASP LYS PRO ILE ASP ILE SER GLN LEU          
SEQRES  72 A 1349  THR LYS GLN ARG LEU VAL ASP ALA ASP GLY ILE ILE ASN          
SEQRES  73 A 1349  PRO SER ALA PHE TYR ILE TYR LEU THR ALA TRP VAL SER          
SEQRES  74 A 1349  ASN ASP PRO VAL ALA TYR ALA ALA SER GLN ALA ASN ILE          
SEQRES  75 A 1349  ARG PRO HIS ARG PRO GLU TRP VAL HIS ASP LYS ALA ASP          
SEQRES  76 A 1349  TYR MET PRO GLU THR ARG LEU ARG ILE PRO ALA ALA GLU          
SEQRES  77 A 1349  PRO ILE GLU TYR ALA GLN PHE PRO PHE TYR LEU ASN GLY          
SEQRES  78 A 1349  LEU ARG ASP THR SER ASP PHE VAL GLU ALA ILE GLU LYS          
SEQRES  79 A 1349  VAL ARG THR ILE CYS SER ASN TYR THR SER LEU GLY LEU          
SEQRES  80 A 1349  SER SER TYR PRO ASN GLY TYR PRO PHE LEU PHE TRP GLU          
SEQRES  81 A 1349  GLN TYR ILE GLY LEU ARG HIS TRP LEU LEU LEU PHE ILE          
SEQRES  82 A 1349  SER VAL VAL LEU ALA CYS THR PHE LEU VAL CYS ALA VAL          
SEQRES  83 A 1349  PHE LEU LEU ASN PRO TRP THR ALA GLY ILE ILE VAL MET          
SEQRES  84 A 1349  VAL LEU ALA LEU MET THR VAL GLU LEU PHE GLY MET MET          
SEQRES  85 A 1349  GLY LEU ILE GLY ILE LYS LEU SER ALA VAL PRO VAL VAL          
SEQRES  86 A 1349  ILE LEU ILE ALA SER VAL GLY ILE GLY VAL GLU PHE THR          
SEQRES  87 A 1349  VAL HIS VAL ALA LEU ALA PHE LEU THR ALA ILE GLY ASP          
SEQRES  88 A 1349  LYS ASN ARG ARG ALA VAL LEU ALA LEU GLU HIS MET PHE          
SEQRES  89 A 1349  ALA PRO VAL LEU ASP GLY ALA VAL SER THR LEU LEU GLY          
SEQRES  90 A 1349  VAL LEU MET LEU ALA GLY SER GLU PHE ASP PHE ILE VAL          
SEQRES  91 A 1349  ARG TYR PHE PHE ALA VAL LEU ALA ILE LEU THR ILE LEU          
SEQRES  92 A 1349  GLY VAL LEU ASN GLY LEU VAL LEU LEU PRO VAL LEU LEU          
SEQRES  93 A 1349  SER PHE PHE GLY PRO TYR PRO GLU VAL SER PRO ALA ASN          
SEQRES  94 A 1349  GLY LEU ASN ARG LEU PRO THR PRO SER PRO GLU PRO PRO          
SEQRES  95 A 1349  PRO SER VAL VAL ARG PHE ALA MET PRO PRO GLY HIS THR          
SEQRES  96 A 1349  HIS SER GLY SER ASP SER SER ASP SER GLU TYR SER SER          
SEQRES  97 A 1349  GLN THR THR VAL SER GLY LEU SER GLU GLU LEU ARG HIS          
SEQRES  98 A 1349  TYR GLU ALA GLN GLN GLY ALA GLY GLY PRO ALA HIS GLN          
SEQRES  99 A 1349  VAL ILE VAL GLU ALA THR GLU ASN PRO VAL PHE ALA HIS          
SEQRES 100 A 1349  SER THR VAL VAL HIS PRO GLU SER ARG HIS HIS PRO PRO          
SEQRES 101 A 1349  SER ASN PRO ARG GLN GLN PRO HIS LEU ASP SER GLY SER          
SEQRES 102 A 1349  LEU PRO PRO GLY ARG GLN GLY GLN GLN PRO ARG ARG ASP          
SEQRES 103 A 1349  LEU GLU GLY SER ASP GLU VAL ASP ALA VAL GLU GLY SER          
SEQRES 104 A 1349  HIS HIS HIS HIS HIS HIS HIS HIS HIS HIS                      
SEQRES   1 B  177  ALA HIS MET CYS GLY PRO GLY ARG GLY PHE GLY LYS ARG          
SEQRES   2 B  177  ARG HIS PRO LYS LYS LEU THR PRO LEU ALA TYR LYS GLN          
SEQRES   3 B  177  PHE ILE PRO ASN VAL ALA GLU LYS THR LEU GLY ALA SER          
SEQRES   4 B  177  GLY ARG TYR GLU GLY LYS ILE SER ARG ASN SER GLU ARG          
SEQRES   5 B  177  PHE LYS GLU LEU THR PRO ASN TYR ASN PRO ASP ILE ILE          
SEQRES   6 B  177  PHE LYS ASP GLU GLU ASN THR GLY ALA ASP ARG LEU MET          
SEQRES   7 B  177  THR GLN ARG CYS LYS ASP LYS LEU ASN ALA LEU ALA ILE          
SEQRES   8 B  177  SER VAL MET ASN GLN TRP PRO GLY VAL LYS LEU ARG VAL          
SEQRES   9 B  177  THR GLU GLY TRP ASP GLU ASP GLY HIS HIS SER GLU GLU          
SEQRES  10 B  177  SER LEU HIS TYR GLU GLY ARG ALA VAL ASP ILE THR THR          
SEQRES  11 B  177  SER ASP ARG ASP ARG SER LYS TYR GLY MET LEU ALA ARG          
SEQRES  12 B  177  LEU ALA VAL GLU ALA GLY PHE ASP TRP VAL TYR TYR GLU          
SEQRES  13 B  177  SER LYS ALA HIS ILE HIS CYS SER VAL LYS ALA GLU ASN          
SEQRES  14 B  177  SER VAL ALA ALA LYS SER GLY GLY                              
HET    NAG  C   1      14                                                       
HET    NAG  C   2      14                                                       
HET    NAG  A1801      14                                                       
HET    NAG  A1802      14                                                       
HET    NAG  A1803      14                                                       
HET    NAG  A1804      14                                                       
HET    NAG  A1807      14                                                       
HET    Y01  A1808      35                                                       
HET    Y01  A1809      35                                                       
HET    SER  B 201       6                                                       
HET     ZN  B 202       1                                                       
HET     CA  B 203       1                                                       
HET     CA  B 204       1                                                       
HETNAM     NAG 2-ACETAMIDO-2-DEOXY-BETA-D-GLUCOPYRANOSE                         
HETNAM     Y01 CHOLESTEROL HEMISUCCINATE                                        
HETNAM     SER SERINE                                                           
HETNAM      ZN ZINC ION                                                         
HETNAM      CA CALCIUM ION                                                      
FORMUL   3  NAG    7(C8 H15 N O6)                                               
FORMUL   9  Y01    2(C31 H50 O4)                                                
FORMUL  11  SER    C3 H7 N O3                                                   
FORMUL  12   ZN    ZN 2+                                                        
FORMUL  13   CA    2(CA 2+)                                                     
HELIX    1 AA1 LYS A   74  LYS A   96  1                                  23    
HELIX    2 AA2 ASN A   97  GLY A  115  1                                  19    
HELIX    3 AA3 VAL A  136  ARG A  144  1                                   9    
HELIX    4 AA4 THR A  171  ALA A  185  1                                  15    
HELIX    5 AA5 LYS A  198  CYS A  203  1                                   6    
HELIX    6 AA6 GLY A  214  LEU A  223  1                                  10    
HELIX    7 AA7 THR A  230  CYS A  234  5                                   5    
HELIX    8 AA8 ASP A  260  GLU A  267  1                                   8    
HELIX    9 AA9 VAL A  275  ALA A  285  1                                  11    
HELIX   10 AB1 GLU A  339  VAL A  343  1                                   5    
HELIX   11 AB2 THR A  368  PHE A  376  1                                   9    
HELIX   12 AB3 ASN A  388  SER A  410  1                                  23    
HELIX   13 AB4 THR A  425  SER A  435  1                                  11    
HELIX   14 AB5 SER A  438  MET A  457  1                                  20    
HELIX   15 AB6 GLN A  466  SER A  489  1                                  24    
HELIX   16 AB7 ALA A  498  THR A  525  1                                  28    
HELIX   17 AB8 ASP A  535  ARG A  543  1                                   9    
HELIX   18 AB9 THR A  544  LEU A  564  1                                  21    
HELIX   19 AC1 ILE A  567  ASP A  605  1                                  39    
HELIX   20 AC2 TRP A  730  PHE A  735  1                                   6    
HELIX   21 AC3 TYR A  740  LEU A  745  1                                   6    
HELIX   22 AC4 LYS A  750  THR A  769  1                                  20    
HELIX   23 AC5 THR A  785  PHE A  795  1                                  11    
HELIX   24 AC6 GLN A  816  PHE A  826  1                                  11    
HELIX   25 AC7 SER A  827  LYS A  830  5                                   4    
HELIX   26 AC8 MET A  843  TRP A  863  1                                  21    
HELIX   27 AC9 VAL A  881  GLN A  889  1                                   9    
HELIX   28 AD1 ASP A  898  LYS A  904  5                                   7    
HELIX   29 AD2 TYR A  920  ASP A  930  1                                  11    
HELIX   30 AD3 ASP A  930  SER A  937  1                                   8    
HELIX   31 AD4 ASP A  983  THR A 1002  1                                  20    
HELIX   32 AD5 TYR A 1013  TRP A 1018  1                                   6    
HELIX   33 AD6 HIS A 1026  PHE A 1046  1                                  21    
HELIX   34 AD7 ASN A 1049  GLY A 1075  1                                  27    
HELIX   35 AD8 VAL A 1081  ALA A 1107  1                                  27    
HELIX   36 AD9 ASN A 1112  MET A 1122  1                                  11    
HELIX   37 AE1 MET A 1122  ALA A 1141  1                                  20    
HELIX   38 AE2 PHE A 1145  PHE A 1152  1                                   8    
HELIX   39 AE3 PHE A 1152  PHE A 1178  1                                  27    
HELIX   40 AE4 SER B   70  LYS B   74  5                                   5    
HELIX   41 AE5 THR B   99  ASN B  115  1                                  17    
HELIX   42 AE6 SER B  138  GLU B  142  5                                   5    
HELIX   43 AE7 LYS B  157  GLU B  167  1                                  11    
SHEET    1 AA1 4 ILE A 228  ILE A 229  0                                        
SHEET    2 AA1 4 LEU A 360  PHE A 364 -1  O  MET A 363   N  ILE A 229           
SHEET    3 AA1 4 GLN A 156  THR A 161 -1  N  GLN A 156   O  PHE A 364           
SHEET    4 AA1 4 LYS A 418  PHE A 422 -1  O  LYS A 418   N  THR A 161           
SHEET    1 AA2 2 GLY A 326  HIS A 328  0                                        
SHEET    2 AA2 2 HIS A 336  GLN A 338 -1  O  TRP A 337   N  CYS A 327           
SHEET    1 AA3 3 ALA A 972  LEU A 978  0                                        
SHEET    2 AA3 3 TYR A 801  GLN A 808 -1  N  MET A 803   O  PHE A 976           
SHEET    3 AA3 3 SER A1007  GLY A1012 -1  O  TYR A1009   N  VAL A 806           
SHEET    1 AA4 6 PHE B  47  ILE B  48  0                                        
SHEET    2 AA4 6 TRP B 172  TYR B 174 -1  O  VAL B 173   N  ILE B  48           
SHEET    3 AA4 6 ILE B 181  SER B 184 -1  N  HIS B 182   O  TYR B 174           
SHEET    4 AA4 6 ALA B 145  THR B 149 -1  N  ILE B 148   O  ILE B 181           
SHEET    5 AA4 6 ARG B 123  GLU B 126 -1  N  ARG B 123   O  THR B 149           
SHEET    6 AA4 6 ILE B  85  PHE B  86  1  N  ILE B  85   O  VAL B 124           
SSBOND   1 CYS A  203    CYS A  226                          1555   1555  2.03  
SSBOND   2 CYS A  234    CYS A  327                          1555   1555  2.04  
SSBOND   3 CYS A  296    CYS A  304                          1555   1555  2.03  
LINK         ND2 ASN A 141                 C1  NAG A1807     1555   1555  1.44  
LINK         ND2 ASN A 312                 C1  NAG A1801     1555   1555  1.43  
LINK         ND2 ASN A 349                 C1  NAG A1802     1555   1555  1.44  
LINK         ND2 ASN A 414                 C1  NAG A1803     1555   1555  1.45  
LINK         ND2 ASN A 875                 C1  NAG A1804     1555   1555  1.44  
LINK         ND2 ASN A1000                 C1  NAG C   1     1555   1555  1.44  
LINK         O4  NAG C   1                 C1  NAG C   2     1555   1555  1.43  
LINK         OE1 GLU B  89                CA    CA B 204     1555   1555  2.54  
LINK         OE2 GLU B  89                CA    CA B 204     1555   1555  2.43  
LINK         OE2 GLU B  90                CA    CA B 203     1555   1555  2.74  
LINK         OD1 ASP B  95                CA    CA B 204     1555   1555  2.50  
LINK         OD2 ASP B  95                CA    CA B 204     1555   1555  2.54  
LINK         O   THR B 125                CA    CA B 204     1555   1555  2.50  
LINK         NE2 HIS B 140                ZN    ZN B 202     1555   1555  2.18  
LINK         OD1 ASP B 147                ZN    ZN B 202     1555   1555  2.27  
LINK         OD2 ASP B 147                ZN    ZN B 202     1555   1555  2.08  
CISPEP   1 GLU A  836    ASN A  837          0        -8.58                     
CISPEP   2 ARG A  942    PRO A  943          0        10.08                     
CISPEP   3 ILE B   48    PRO B   49          0         2.74                     
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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