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Database: PDB
Entry: 6DNO
LinkDB: 6DNO
Original site: 6DNO 
HEADER    SIGNALING PROTEIN                       07-JUN-18   6DNO              
TITLE     CRYSTAL STRUCTURE OF PROTEIN PHOSPHATASE 1 (PP1) BOUND TO THE MUSCLE  
TITLE    2 GLYCOGEN-TARGETING SUBUNIT (GM)                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-ALPHA CATALYTIC   
COMPND   3 SUBUNIT;                                                             
COMPND   4 CHAIN: A;                                                            
COMPND   5 FRAGMENT: RESIDUES 7-300;                                            
COMPND   6 SYNONYM: PP-1A;                                                      
COMPND   7 EC: 3.1.3.16;                                                        
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: PROTEIN PHOSPHATASE 1 REGULATORY SUBUNIT 3A;               
COMPND  11 CHAIN: B;                                                            
COMPND  12 FRAGMENT: RESIDUES 64-93;                                            
COMPND  13 SYNONYM: PROTEIN PHOSPHATASE 1 GLYCOGEN-ASSOCIATED REGULATORY        
COMPND  14 SUBUNIT,PROTEIN PHOSPHATASE TYPE-1 GLYCOGEN TARGETING SUBUNIT,RG1;   
COMPND  15 ENGINEERED: YES;                                                     
COMPND  16 MOL_ID: 3;                                                           
COMPND  17 MOLECULE: MICROCYSTIN-LR;                                            
COMPND  18 CHAIN: C;                                                            
COMPND  19 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: PPP1CA, PPP1A;                                                 
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 SYNTHETIC: YES;                                                      
SOURCE  10 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS;                          
SOURCE  11 ORGANISM_COMMON: RABBIT;                                             
SOURCE  12 ORGANISM_TAXID: 9986;                                                
SOURCE  13 MOL_ID: 3;                                                           
SOURCE  14 SYNTHETIC: YES;                                                      
SOURCE  15 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
SOURCE  16 ORGANISM_TAXID: 32630                                                
KEYWDS    INHIBITOR, COMPLEX, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR COMPLEX, 
KEYWDS   2 SIGNALING PROTEIN                                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    M.S.CHOY,G.S.KUMAR,W.PETI,R.PAGE                                      
REVDAT   1   23-JAN-19 6DNO    0                                                
JRNL        AUTH   G.S.KUMAR,M.S.CHOY,D.M.KOVEAL,M.K.LORINSKY,S.P.LYONS,        
JRNL        AUTH 2 A.N.KETTENBACH,R.PAGE,W.PETI                                 
JRNL        TITL   IDENTIFICATION OF THE SUBSTRATE RECRUITMENT MECHANISM OF THE 
JRNL        TITL 2 MUSCLE GLYCOGEN PROTEIN PHOSPHATASE 1 HOLOENZYME.            
JRNL        REF    SCI ADV                       V.   4 U6044 2018              
JRNL        REFN                   ESSN 2375-2548                               
JRNL        PMID   30443599                                                     
JRNL        DOI    10.1126/SCIADV.AAU6044                                       
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.45 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (1.13_2998)                                   
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,           
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,            
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,              
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,               
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,           
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT                  
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART                  
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : NULL                                          
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.45                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 38.90                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.340                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 98.4                           
REMARK   3   NUMBER OF REFLECTIONS             : 56035                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.187                           
REMARK   3   R VALUE            (WORKING SET) : 0.186                           
REMARK   3   FREE R VALUE                     : 0.210                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 4.780                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 2680                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 38.9290 -  3.8689    0.99     3012   152  0.1543 0.1779        
REMARK   3     2  3.8689 -  3.0713    1.00     2905   161  0.1626 0.1882        
REMARK   3     3  3.0713 -  2.6832    0.99     2893   114  0.1809 0.1924        
REMARK   3     4  2.6832 -  2.4379    0.99     2864   128  0.1881 0.2130        
REMARK   3     5  2.4379 -  2.2632    1.00     2879   130  0.1785 0.2040        
REMARK   3     6  2.2632 -  2.1297    1.00     2818   164  0.1857 0.2196        
REMARK   3     7  2.1297 -  2.0231    1.00     2828   151  0.1807 0.2120        
REMARK   3     8  2.0231 -  1.9350    1.00     2826   144  0.1999 0.1895        
REMARK   3     9  1.9350 -  1.8605    1.00     2837   143  0.2023 0.2529        
REMARK   3    10  1.8605 -  1.7963    1.00     2842   159  0.2072 0.2319        
REMARK   3    11  1.7963 -  1.7402    1.00     2821   150  0.2117 0.2368        
REMARK   3    12  1.7402 -  1.6904    1.00     2834   125  0.2155 0.2525        
REMARK   3    13  1.6904 -  1.6459    1.00     2810   134  0.2273 0.2351        
REMARK   3    14  1.6459 -  1.6058    1.00     2839   148  0.2408 0.2497        
REMARK   3    15  1.6058 -  1.5693    1.00     2840   135  0.2495 0.2541        
REMARK   3    16  1.5693 -  1.5359    1.00     2793   139  0.2640 0.2744        
REMARK   3    17  1.5359 -  1.5051    1.00     2835   143  0.2679 0.3019        
REMARK   3    18  1.5051 -  1.4767    0.99     2785   145  0.2936 0.3331        
REMARK   3    19  1.4767 -  1.4504    0.74     2094   115  0.3303 0.3609        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : NULL                                          
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.180            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.390           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.005           2698                                  
REMARK   3   ANGLE     :  0.963           3650                                  
REMARK   3   CHIRALITY :  0.081            390                                  
REMARK   3   PLANARITY :  0.004            478                                  
REMARK   3   DIHEDRAL  : 21.863            988                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 6DNO COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 11-JUN-18.                  
REMARK 100 THE DEPOSITION ID IS D_1000235005.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 04-FEB-16                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 4.6                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : SSRL                               
REMARK 200  BEAMLINE                       : BL12-2                             
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97945                            
REMARK 200  MONOCHROMATOR                  : NULL                               
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : PIXEL                              
REMARK 200  DETECTOR MANUFACTURER          : DECTRIS PILATUS3 6M                
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : XDS OCT 15, 2015                   
REMARK 200  DATA SCALING SOFTWARE          : AIMLESS 0.5.17                     
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 56091                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.450                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 38.900                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.5                               
REMARK 200  DATA REDUNDANCY                : 5.100                              
REMARK 200  R MERGE                    (I) : 0.06100                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 12.2000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.45                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.47                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 72.9                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.90                               
REMARK 200  R MERGE FOR SHELL          (I) : 1.14700                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 0.900                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHENIX 2.5.6                                          
REMARK 200 STARTING MODEL: 4MOV                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 41.95                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.12                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 0.4 M MAGNESIUM FORMATE DIHYDRATE, 0.1   
REMARK 280  M SODIUM ACETATE TRIHYDRATE, PH 4.6, VAPOR DIFFUSION,               
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       80.17750            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       80.17750            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       30.23800            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       32.87200            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       30.23800            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       32.87200            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       80.17750            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       30.23800            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       32.87200            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       80.17750            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       30.23800            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       32.87200            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
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: TRIMERIC                          
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TRIMERIC                   
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 3460 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 13220 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -17.0 KCAL/MOL                        
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 375                                                                      
REMARK 375 SPECIAL POSITION                                                     
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS            
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL          
REMARK 375 POSITIONS.                                                           
REMARK 375                                                                      
REMARK 375 ATOM RES CSSEQI                                                      
REMARK 375      HOH B 102  LIES ON A SPECIAL POSITION.                          
REMARK 400                                                                      
REMARK 400 COMPOUND                                                             
REMARK 400                                                                      
REMARK 400 THE MICROCYSTIN LR IS OLIGOPEPTIDE, A MEMBER OF TOXIN CLASS.         
REMARK 400                                                                      
REMARK 400  GROUP: 1                                                            
REMARK 400   NAME: MICROCYSTIN LR                                               
REMARK 400   CHAIN: C                                                           
REMARK 400   COMPONENT_1: PEPTIDE LIKE POLYMER                                  
REMARK 400   DESCRIPTION: NULL                                                  
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     GLY A     2                                                      
REMARK 465     HIS A     3                                                      
REMARK 465     MET A     4                                                      
REMARK 465     GLY A     5                                                      
REMARK 465     SER A     6                                                      
REMARK 465     GLU B    86                                                      
REMARK 465     LEU B    87                                                      
REMARK 465     PRO B    88                                                      
REMARK 465     SER B    89                                                      
REMARK 465     VAL B    90                                                      
REMARK 465     SER B    91                                                      
REMARK 465     THR B    92                                                      
REMARK 465     THR B    93                                                      
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     LYS A  26    CD   CE   NZ                                        
REMARK 470     LYS A  98    CE   NZ                                             
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   CB   CYS A   273     CB   DAM C     7              1.94            
REMARK 500   O    HOH B   105     O    HOH B   117              2.14            
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    DAL C   1   C     LEU C   2   N       0.179                       
REMARK 500    LEU C   2   C     ACB C   3   N       0.176                       
REMARK 500    ARG C   4   NE    ARG C   4   CZ      0.135                       
REMARK 500    ARG C   4   CZ    ARG C   4   NH1     0.124                       
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 A  92       61.28     61.06                                   
REMARK 500    ASP A  95      152.19     78.57                                   
REMARK 500    ARG A  96      -55.39     73.64                                   
REMARK 500    TYR A 144     -106.39   -136.70                                   
REMARK 500    SER A 224     -153.89     62.67                                   
REMARK 500    ALA A 247     -133.82   -134.83                                   
REMARK 500    HIS A 248      -14.45     79.97                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  6DNO A    7   300  UNP    P62136   PP1A_HUMAN       7    300             
DBREF  6DNO B   64    93  UNP    Q00756   PPR3A_RABIT     64     93             
DBREF  6DNO C    1     7  PDB    6DNO     6DNO             1      7             
SEQADV 6DNO GLY A    2  UNP  P62136              EXPRESSION TAG                 
SEQADV 6DNO HIS A    3  UNP  P62136              EXPRESSION TAG                 
SEQADV 6DNO MET A    4  UNP  P62136              EXPRESSION TAG                 
SEQADV 6DNO GLY A    5  UNP  P62136              EXPRESSION TAG                 
SEQADV 6DNO SER A    6  UNP  P62136              EXPRESSION TAG                 
SEQRES   1 A  299  GLY HIS MET GLY SER LEU ASN LEU ASP SER ILE ILE GLY          
SEQRES   2 A  299  ARG LEU LEU GLU VAL GLN GLY SER ARG PRO GLY LYS ASN          
SEQRES   3 A  299  VAL GLN LEU THR GLU ASN GLU ILE ARG GLY LEU CYS LEU          
SEQRES   4 A  299  LYS SER ARG GLU ILE PHE LEU SER GLN PRO ILE LEU LEU          
SEQRES   5 A  299  GLU LEU GLU ALA PRO LEU LYS ILE CYS GLY ASP ILE HIS          
SEQRES   6 A  299  GLY GLN TYR TYR ASP LEU LEU ARG LEU PHE GLU TYR GLY          
SEQRES   7 A  299  GLY PHE PRO PRO GLU SER ASN TYR LEU PHE LEU GLY ASP          
SEQRES   8 A  299  TYR VAL ASP ARG GLY LYS GLN SER LEU GLU THR ILE CYS          
SEQRES   9 A  299  LEU LEU LEU ALA TYR LYS ILE LYS TYR PRO GLU ASN PHE          
SEQRES  10 A  299  PHE LEU LEU ARG GLY ASN HIS GLU CYS ALA SER ILE ASN          
SEQRES  11 A  299  ARG ILE TYR GLY PHE TYR ASP GLU CYS LYS ARG ARG TYR          
SEQRES  12 A  299  ASN ILE LYS LEU TRP LYS THR PHE THR ASP CYS PHE ASN          
SEQRES  13 A  299  CYS LEU PRO ILE ALA ALA ILE VAL ASP GLU LYS ILE PHE          
SEQRES  14 A  299  CYS CYS HIS GLY GLY LEU SER PRO ASP LEU GLN SER MET          
SEQRES  15 A  299  GLU GLN ILE ARG ARG ILE MET ARG PRO THR ASP VAL PRO          
SEQRES  16 A  299  ASP GLN GLY LEU LEU CYS ASP LEU LEU TRP SER ASP PRO          
SEQRES  17 A  299  ASP LYS ASP VAL GLN GLY TRP GLY GLU ASN ASP ARG GLY          
SEQRES  18 A  299  VAL SER PHE THR PHE GLY ALA GLU VAL VAL ALA LYS PHE          
SEQRES  19 A  299  LEU HIS LYS HIS ASP LEU ASP LEU ILE CYS ARG ALA HIS          
SEQRES  20 A  299  GLN VAL VAL GLU ASP GLY TYR GLU PHE PHE ALA LYS ARG          
SEQRES  21 A  299  GLN LEU VAL THR LEU PHE SER ALA PRO ASN TYR CYS GLY          
SEQRES  22 A  299  GLU PHE ASP ASN ALA GLY ALA MET MET SER VAL ASP GLU          
SEQRES  23 A  299  THR LEU MET CYS SER PHE GLN ILE LEU LYS PRO ALA ASP          
SEQRES   1 B   30  ARG ARG VAL SER PHE ALA ASP ASN PHE GLY PHE ASN LEU          
SEQRES   2 B   30  VAL SER VAL LYS GLU PHE ASP THR TRP GLU LEU PRO SER          
SEQRES   3 B   30  VAL SER THR THR                                              
SEQRES   1 C    7  DAL LEU ACB ARG 1ZN FGA DAM                                  
HET    DAL  C   1       5                                                       
HET    ACB  C   3       9                                                       
HET    1ZN  C   5      23                                                       
HET    FGA  C   6       9                                                       
HET    DAM  C   7       6                                                       
HETNAM     DAL D-ALANINE                                                        
HETNAM     ACB 3-METHYL-BETA-D-ASPARTIC ACID                                    
HETNAM     1ZN (2S,3S,4E,6E,8S,9S)-3-AMINO-9-METHOXY-2,6,8-TRIMETHYL-           
HETNAM   2 1ZN  10-PHENYLDECA-4,6-DIENOIC ACID                                  
HETNAM     FGA GAMMA-D-GLUTAMIC ACID                                            
HETNAM     DAM N-METHYL-ALPHA-BETA-DEHYDROALANINE                               
HETSYN     ACB (3S)-3-METHYL-D-ASPARTIC ACID; D-METHYL ASPARTIC ACID            
HETSYN     FGA D-GLUTAMIC ACID                                                  
FORMUL   3  DAL    C3 H7 N O2                                                   
FORMUL   3  ACB    C5 H9 N O4                                                   
FORMUL   3  1ZN    C20 H29 N O3                                                 
FORMUL   3  FGA    C5 H9 N O4                                                   
FORMUL   3  DAM    C4 H7 N O2                                                   
FORMUL   4  HOH   *147(H2 O)                                                    
HELIX    1 AA1 ASN A    8  LEU A   17  1                                  10    
HELIX    2 AA2 GLU A   18  GLN A   20  5                                   3    
HELIX    3 AA3 THR A   31  GLN A   49  1                                  19    
HELIX    4 AA4 GLN A   68  GLY A   80  1                                  13    
HELIX    5 AA5 GLN A   99  TYR A  114  1                                  16    
HELIX    6 AA6 CYS A  127  ARG A  132  1                                   6    
HELIX    7 AA7 GLY A  135  TYR A  144  1                                  10    
HELIX    8 AA8 ASN A  145  ASN A  157  1                                  13    
HELIX    9 AA9 SER A  182  ARG A  188  1                                   7    
HELIX   10 AB1 GLY A  199  SER A  207  1                                   9    
HELIX   11 AB2 GLY A  228  ASP A  240  1                                  13    
HELIX   12 AB3 ASP B   70  GLY B   73  5                                   4    
SHEET    1 AA1 6 LEU A  52  LEU A  55  0                                        
SHEET    2 AA1 6 ALA A 162  VAL A 165  1  O  ALA A 162   N  LEU A  53           
SHEET    3 AA1 6 ILE A 169  CYS A 172 -1  O  CYS A 171   N  ALA A 163           
SHEET    4 AA1 6 LEU A 243  ARG A 246  1  O  CYS A 245   N  PHE A 170           
SHEET    5 AA1 6 LEU A 263  LEU A 266  1  O  LEU A 266   N  ARG A 246           
SHEET    6 AA1 6 TYR A 255  PHE A 258 -1  N  GLU A 256   O  THR A 265           
SHEET    1 AA2 6 PHE A 118  LEU A 120  0                                        
SHEET    2 AA2 6 TYR A  87  PHE A  89  1  N  PHE A  89   O  PHE A 119           
SHEET    3 AA2 6 LEU A  59  CYS A  62  1  N  LYS A  60   O  LEU A  88           
SHEET    4 AA2 6 GLY A 280  VAL A 285 -1  O  VAL A 285   N  LEU A  59           
SHEET    5 AA2 6 MET A 290  PRO A 298 -1  O  LEU A 296   N  GLY A 280           
SHEET    6 AA2 6 SER B  67  PHE B  68  1  O  SER B  67   N  CYS A 291           
SHEET    1 AA3 6 PHE A 118  LEU A 120  0                                        
SHEET    2 AA3 6 TYR A  87  PHE A  89  1  N  PHE A  89   O  PHE A 119           
SHEET    3 AA3 6 LEU A  59  CYS A  62  1  N  LYS A  60   O  LEU A  88           
SHEET    4 AA3 6 GLY A 280  VAL A 285 -1  O  VAL A 285   N  LEU A  59           
SHEET    5 AA3 6 MET A 290  PRO A 298 -1  O  LEU A 296   N  GLY A 280           
SHEET    6 AA3 6 VAL B  77  PHE B  82  1  O  SER B  78   N  ILE A 295           
SHEET    1 AA4 3 ASP A 208  PRO A 209  0                                        
SHEET    2 AA4 3 PHE A 225  PHE A 227  1  O  PHE A 227   N  ASP A 208           
SHEET    3 AA4 3 TRP A 216  GLU A 218 -1  N  GLY A 217   O  THR A 226           
LINK         SG  CYS A 273                 CB  DAM C   7     1555   1555  1.77  
LINK         N   DAL C   1                 C   DAM C   7     1555   1555  1.50  
LINK         C   DAL C   1                 N   LEU C   2     1555   1555  1.52  
LINK         C   LEU C   2                 N   ACB C   3     1555   1555  1.51  
LINK         CG  ACB C   3                 N   ARG C   4     1555   1555  1.52  
LINK         C   ARG C   4                 N1  1ZN C   5     1555   1555  1.54  
LINK         C20 1ZN C   5                 N   FGA C   6     1555   1555  1.51  
LINK         CD  FGA C   6                 N   DAM C   7     1555   1555  1.50  
CISPEP   1 ALA A   57    PRO A   58          0         4.24                     
CISPEP   2 PRO A   82    PRO A   83          0         4.07                     
CISPEP   3 ARG A  191    PRO A  192          0         0.35                     
CRYST1   60.476   65.744  160.355  90.00  90.00  90.00 C 2 2 21      8          
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      0.016535  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.015210  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.006236        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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