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Database: PDB
Entry: 1BD8
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Original site: 1BD8 
HEADER    TUMOR SUPPRESSOR                        12-MAY-98   1BD8              
TITLE     STRUCTURE OF CDK INHIBITOR P19INK4D                                   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: P19INK4D CDK4/6 INHIBITOR;                                 
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 CELL_LINE: BL21;                                                     
SOURCE   6 CELLULAR_LOCATION: CYTOPLASM;                                        
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   9 EXPRESSION_SYSTEM_STRAIN: BL21 (DE3);                                
SOURCE  10 EXPRESSION_SYSTEM_CELLULAR_LOCATION: CYTOPLASM;                      
SOURCE  11 EXPRESSION_SYSTEM_PLASMID: PET-15B                                   
KEYWDS    TUMOR SUPPRESSOR, CDK4/6 INHIBITOR, ANKYRIN MOTIF                     
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    R.BAUMGARTNER,C.FERNANDEZ-CATALAN,A.WINOTO,R.HUBER,R.ENGH,            
AUTHOR   2 T.A.HOLAK                                                            
REVDAT   2   24-FEB-09 1BD8    1       VERSN                                    
REVDAT   1   14-OCT-98 1BD8    0                                                
JRNL        AUTH   R.BAUMGARTNER,C.FERNANDEZ-CATALAN,A.WINOTO,R.HUBER,          
JRNL        AUTH 2 R.A.ENGH,T.A.HOLAK                                           
JRNL        TITL   STRUCTURE OF HUMAN CYCLIN-DEPENDENT KINASE                   
JRNL        TITL 2 INHIBITOR P19INK4D: COMPARISON TO KNOWN                      
JRNL        TITL 3 ANKYRIN-REPEAT-CONTAINING STRUCTURES AND                     
JRNL        TITL 4 IMPLICATIONS FOR THE DYSFUNCTION OF TUMOR                    
JRNL        TITL 5 SUPPRESSOR P16INK4A.                                         
JRNL        REF    STRUCTURE                     V.   6  1279 1998              
JRNL        REFN                   ISSN 0969-2126                               
JRNL        PMID   9782052                                                      
JRNL        DOI    10.1016/S0969-2126(98)00128-2                                
REMARK   1                                                                      
REMARK   1 REFERENCE 1                                                          
REMARK   1  AUTH   R.VENKATARAMANI,K.SWAMINATHAN,R.MARMORSTEIN                  
REMARK   1  TITL   CRYSTAL STRUCTURE OF THE CDK4/6 INHIBITORY PROTEIN           
REMARK   1  TITL 2 P18INK4C PROVIDES INSIGHTS INTO ANKYRIN-LIKE                 
REMARK   1  TITL 3 REPEAT STRUCTURE/FUNCTION AND TUMOR-DERIVED                  
REMARK   1  TITL 4 P16INK4 MUTATIONS                                            
REMARK   1  REF    NAT.STRUCT.BIOL.              V.   5    74 1998              
REMARK   1  REFN                   ISSN 1072-8368                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.80 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : REFMAC                                               
REMARK   3   AUTHORS     : MURSHUDOV,VAGIN,DODSON                               
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.80                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : NULL                           
REMARK   3   DATA CUTOFF            (SIGMA(F)) : NULL                           
REMARK   3   COMPLETENESS FOR RANGE        (%) : NULL                           
REMARK   3   NUMBER OF REFLECTIONS             : NULL                           
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   CROSS-VALIDATION METHOD          : NULL                            
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL                            
REMARK   3   R VALUE     (WORKING + TEST SET) : NULL                            
REMARK   3   R VALUE            (WORKING SET) : 0.190                           
REMARK   3   FREE R VALUE                     : 0.260                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL                            
REMARK   3                                                                      
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.                    
REMARK   3   PROTEIN ATOMS            : 1167                                    
REMARK   3   NUCLEIC ACID ATOMS       : NULL                                    
REMARK   3   HETEROGEN ATOMS          : NULL                                    
REMARK   3   SOLVENT ATOMS            : 198                                     
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  ESTIMATED OVERALL COORDINATE ERROR.                                 
REMARK   3   ESU BASED ON R VALUE                            (A): NULL          
REMARK   3   ESU BASED ON FREE R VALUE                       (A): NULL          
REMARK   3   ESU BASED ON MAXIMUM LIKELIHOOD                 (A): NULL          
REMARK   3   ESU FOR B VALUES BASED ON MAXIMUM LIKELIHOOD (A**2): NULL          
REMARK   3                                                                      
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.                                   
REMARK   3   DISTANCE RESTRAINTS.                    RMS    SIGMA               
REMARK   3    BOND LENGTH                     (A) : NULL  ; NULL                
REMARK   3    ANGLE DISTANCE                  (A) : NULL  ; NULL                
REMARK   3    INTRAPLANAR 1-4 DISTANCE        (A) : NULL  ; NULL                
REMARK   3    H-BOND OR METAL COORDINATION    (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   PLANE RESTRAINT                  (A) : NULL  ; NULL                
REMARK   3   CHIRAL-CENTER RESTRAINT       (A**3) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   NON-BONDED CONTACT RESTRAINTS.                                     
REMARK   3    SINGLE TORSION                  (A) : NULL  ; NULL                
REMARK   3    MULTIPLE TORSION                (A) : NULL  ; NULL                
REMARK   3    H-BOND (X...Y)                  (A) : NULL  ; NULL                
REMARK   3    H-BOND (X-H...Y)                (A) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3   CONFORMATIONAL TORSION ANGLE RESTRAINTS.                           
REMARK   3    SPECIFIED                 (DEGREES) : NULL  ; NULL                
REMARK   3    PLANAR                    (DEGREES) : NULL  ; NULL                
REMARK   3    STAGGERED                 (DEGREES) : NULL  ; NULL                
REMARK   3    TRANSVERSE                (DEGREES) : NULL  ; NULL                
REMARK   3                                                                      
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA                
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL                 
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 1BD8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY BNL.                                
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : OCT-97                             
REMARK 200  TEMPERATURE           (KELVIN) : 280                                
REMARK 200  PH                             : 8.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : N                                  
REMARK 200  RADIATION SOURCE               : ROTATING ANODE                     
REMARK 200  BEAMLINE                       : NULL                               
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RUH2R                       
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418                             
REMARK 200  MONOCHROMATOR                  : GRAPHITE(002)                      
REMARK 200  OPTICS                         : MIRRORS                            
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : IMAGE PLATE                        
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH                        
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 13017                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.800                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 25.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 2.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : 0.07300                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 11.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : NULL                               
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: NULL                                           
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MULTIPLE ISOMORPHOUS         
REMARK 200  REPLACEMENT                                                         
REMARK 200 SOFTWARE USED: CCP4                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: DATA COLLECTED IN THE OSCILLATION MODE.                      
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 34.00                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 1.86                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM 35%        
REMARK 280  PEG 4000, 200 MM MGSO4 AND 200 MM TRIS/HCL PH 8.5, SITTING          
REMARK 280  DROP METHOD, AT 4 DEG. C., VAPOR DIFFUSION - SITTING DROP,          
REMARK 280  TEMPERATURE 277K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 1 21 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,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       27.28000            
REMARK 290   SMTRY3   2  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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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 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   O    THR A    84     O    HOH A   243              2.06            
REMARK 500   OE1  GLU A   129     O    HOH A   331              2.16            
REMARK 500   OD2  ASP A   104     O    HOH A   178              2.18            
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS                                             
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC             
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15          
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A           
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375             
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE               
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.            
REMARK 500                                                                      
REMARK 500 DISTANCE CUTOFF:                                                     
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS              
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS                  
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE          
REMARK 500   O    HOH A   187     O    HOH A   238     1455     1.39            
REMARK 500   NH2  ARG A   149     O    HOH A   170     1455     1.49            
REMARK 500   O    HOH A   188     O    HOH A   274     1655     1.56            
REMARK 500   O    GLU A   117     O    HOH A   235     1455     1.87            
REMARK 500   O    HOH A   304     O    HOH A   356     1656     1.95            
REMARK 500   NZ   LYS A    91     O    HOH A   248     2656     1.96            
REMARK 500   O    HOH A   322     O    HOH A   346     1455     1.99            
REMARK 500   CZ   ARG A   149     O    HOH A   170     1455     2.00            
REMARK 500   O    HOH A   272     O    HOH A   302     1554     2.06            
REMARK 500   O    HOH A   207     O    HOH A   250     1655     2.08            
REMARK 500   OD1  ASP A   156     O    HOH A   222     1454     2.15            
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    MET A 162   C     MET A 162   OXT    -0.389                       
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    ASP A  10   CB  -  CG  -  OD1 ANGL. DEV. =   5.7 DEGREES          
REMARK 500    ARG A  11   CG  -  CD  -  NE  ANGL. DEV. =  24.2 DEGREES          
REMARK 500    ARG A  11   CD  -  NE  -  CZ  ANGL. DEV. =  26.9 DEGREES          
REMARK 500    ARG A  11   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.9 DEGREES          
REMARK 500    ASP A  36   CA  -  CB  -  CG  ANGL. DEV. =  16.5 DEGREES          
REMARK 500    ASP A  36   CB  -  CG  -  OD1 ANGL. DEV. =   8.5 DEGREES          
REMARK 500    LEU A  58   CB  -  CG  -  CD2 ANGL. DEV. = -11.9 DEGREES          
REMARK 500    ASP A  80   CB  -  CG  -  OD1 ANGL. DEV. =   7.2 DEGREES          
REMARK 500    LEU A 145   CA  -  CB  -  CG  ANGL. DEV. =  31.9 DEGREES          
REMARK 500    LEU A 147   N   -  CA  -  CB  ANGL. DEV. =  15.4 DEGREES          
REMARK 500    ALA A 146   CA  -  C   -  N   ANGL. DEV. =  21.3 DEGREES          
REMARK 500    ALA A 146   O   -  C   -  N   ANGL. DEV. = -14.2 DEGREES          
REMARK 500    ARG A 149   CD  -  NE  -  CZ  ANGL. DEV. =  20.2 DEGREES          
REMARK 500    ARG A 149   NH1 -  CZ  -  NH2 ANGL. DEV. =   7.9 DEGREES          
REMARK 500    ARG A 149   NE  -  CZ  -  NH1 ANGL. DEV. =  10.2 DEGREES          
REMARK 500    ARG A 149   NE  -  CZ  -  NH2 ANGL. DEV. = -18.1 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    GLU A 129      -29.59    172.69                                   
REMARK 500    LEU A 147      -70.15     95.70                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: MAIN CHAIN PLANARITY                                       
REMARK 500                                                                      
REMARK 500 THE FOLLOWING RESIDUES HAVE A PSEUDO PLANARITY                       
REMARK 500 TORSION, C(I) - CA(I) - N(I+1) - O(I), GREATER                       
REMARK 500 10.0 DEGREES. (M=MODEL NUMBER; RES=RESIDUE NAME;                     
REMARK 500 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;                            
REMARK 500 I=INSERTION CODE).                                                   
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        ANGLE                                           
REMARK 500    ALA A 128         11.61                                           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 525                                                                      
REMARK 525 SOLVENT                                                              
REMARK 525                                                                      
REMARK 525 THE SOLVENT MOLECULES HAVE CHAIN IDENTIFIERS THAT                    
REMARK 525 INDICATE THE POLYMER CHAIN WITH WHICH THEY ARE MOST                  
REMARK 525 CLOSELY ASSOCIATED. THE REMARK LISTS ALL THE SOLVENT                 
REMARK 525 MOLECULES WHICH ARE MORE THAN 5A AWAY FROM THE                       
REMARK 525 NEAREST POLYMER CHAIN (M = MODEL NUMBER;                             
REMARK 525 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE                  
REMARK 525 NUMBER; I=INSERTION CODE):                                           
REMARK 525                                                                      
REMARK 525  M RES CSSEQI                                                        
REMARK 525    HOH A 236        DISTANCE =  5.13 ANGSTROMS                       
REMARK 525    HOH A 266        DISTANCE =  5.35 ANGSTROMS                       
REMARK 525    HOH A 272        DISTANCE =  8.12 ANGSTROMS                       
REMARK 525    HOH A 289        DISTANCE =  6.26 ANGSTROMS                       
REMARK 525    HOH A 290        DISTANCE =  5.92 ANGSTROMS                       
REMARK 525    HOH A 293        DISTANCE =  7.39 ANGSTROMS                       
REMARK 525    HOH A 298        DISTANCE =  5.44 ANGSTROMS                       
REMARK 525    HOH A 299        DISTANCE =  6.41 ANGSTROMS                       
REMARK 525    HOH A 314        DISTANCE =  6.76 ANGSTROMS                       
REMARK 525    HOH A 316        DISTANCE =  5.03 ANGSTROMS                       
REMARK 525    HOH A 317        DISTANCE =  5.20 ANGSTROMS                       
REMARK 525    HOH A 320        DISTANCE =  7.01 ANGSTROMS                       
REMARK 525    HOH A 325        DISTANCE =  6.59 ANGSTROMS                       
REMARK 525    HOH A 334        DISTANCE =  7.61 ANGSTROMS                       
REMARK 525    HOH A 354        DISTANCE =  5.99 ANGSTROMS                       
REMARK 615                                                                      
REMARK 615 ZERO OCCUPANCY ATOM                                                  
REMARK 615 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO                  
REMARK 615 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS                
REMARK 615 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;              
REMARK 615 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):         
REMARK 615   M RES C SSEQI                                                      
REMARK 615     HOH A  174                                                       
REMARK 615     HOH A  255                                                       
REMARK 615     HOH A  260                                                       
REMARK 615     HOH A  283                                                       
REMARK 615     HOH A  299                                                       
REMARK 615     HOH A  300                                                       
REMARK 615     HOH A  303                                                       
REMARK 615     HOH A  308                                                       
REMARK 615     HOH A  313                                                       
REMARK 615     HOH A  314                                                       
REMARK 615     HOH A  330                                                       
REMARK 615     HOH A  335                                                       
REMARK 615     HOH A  338                                                       
REMARK 615     HOH A  339                                                       
DBREF  1BD8 A    7   162  UNP    P55273   CDN2D_HUMAN      7    162             
SEQRES   1 A  156  ARG ALA GLY ASP ARG LEU SER GLY ALA ALA ALA ARG GLY          
SEQRES   2 A  156  ASP VAL GLN GLU VAL ARG ARG LEU LEU HIS ARG GLU LEU          
SEQRES   3 A  156  VAL HIS PRO ASP ALA LEU ASN ARG PHE GLY LYS THR ALA          
SEQRES   4 A  156  LEU GLN VAL MET MET PHE GLY SER THR ALA ILE ALA LEU          
SEQRES   5 A  156  GLU LEU LEU LYS GLN GLY ALA SER PRO ASN VAL GLN ASP          
SEQRES   6 A  156  THR SER GLY THR SER PRO VAL HIS ASP ALA ALA ARG THR          
SEQRES   7 A  156  GLY PHE LEU ASP THR LEU LYS VAL LEU VAL GLU HIS GLY          
SEQRES   8 A  156  ALA ASP VAL ASN VAL PRO ASP GLY THR GLY ALA LEU PRO          
SEQRES   9 A  156  ILE HIS LEU ALA VAL GLN GLU GLY HIS THR ALA VAL VAL          
SEQRES  10 A  156  SER PHE LEU ALA ALA GLU SER ASP LEU HIS ARG ARG ASP          
SEQRES  11 A  156  ALA ARG GLY LEU THR PRO LEU GLU LEU ALA LEU GLN ARG          
SEQRES  12 A  156  GLY ALA GLN ASP LEU VAL ASP ILE LEU GLN GLY HIS MET          
FORMUL   2  HOH   *195(H2 O)                                                    
HELIX    1   1 ALA A    8  ARG A   18  1                                  11    
HELIX    2   2 VAL A   21  HIS A   29  1                                   9    
HELIX    3   3 ALA A   45  VAL A   48  1                                   4    
HELIX    4   4 THR A   54  GLN A   63  1                                  10    
HELIX    5   5 PRO A   77  THR A   84  1                                   8    
HELIX    6   6 LEU A   87  GLU A   95  1                                   9    
HELIX    7   7 PRO A  110  GLU A  117  1                                   8    
HELIX    8   8 THR A  120  ALA A  127  1                                   8    
HELIX    9   9 PRO A  142  GLN A  148  1                                   7    
HELIX   10  10 GLN A  152  GLY A  160  1                                   9    
CRYST1   28.470   54.560   45.590  90.00  90.16  90.00 P 1 21 1      2          
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      0.035125  0.000000  0.000098        0.00000                         
SCALE2      0.000000  0.018328  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.021935        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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