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Database: PDB
Entry: 6I4X
LinkDB: 6I4X
Original site: 6I4X 
HEADER    SIGNALING PROTEIN                       12-NOV-18   6I4X              
TITLE     CRYSTAL STRUCTURE OF SOCS2:ELONGIN C:ELONGIN B IN COMPLEX WITH        
TITLE    2 ERYTHROPOIETIN RECEPTOR PEPTIDE                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ELONGIN-B;                                                 
COMPND   3 CHAIN: B;                                                            
COMPND   4 SYNONYM: ELOB,ELONGIN 18 KDA SUBUNIT,RNA POLYMERASE II TRANSCRIPTION 
COMPND   5 FACTOR SIII SUBUNIT B,SIII P18,TRANSCRIPTION ELONGATION FACTOR B     
COMPND   6 POLYPEPTIDE 2;                                                       
COMPND   7 ENGINEERED: YES;                                                     
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: ELONGIN-C;                                                 
COMPND  10 CHAIN: C;                                                            
COMPND  11 SYNONYM: ELOC,ELONGIN 15 KDA SUBUNIT,RNA POLYMERASE II TRANSCRIPTION 
COMPND  12 FACTOR SIII SUBUNIT C,SIII P15,TRANSCRIPTION ELONGATION FACTOR B     
COMPND  13 POLYPEPTIDE 1;                                                       
COMPND  14 ENGINEERED: YES;                                                     
COMPND  15 MOL_ID: 3;                                                           
COMPND  16 MOLECULE: SUPPRESSOR OF CYTOKINE SIGNALING 2;                        
COMPND  17 CHAIN: A;                                                            
COMPND  18 SYNONYM: SOCS-2,CYTOKINE-INDUCIBLE SH2 PROTEIN 2,CIS-2,STAT-INDUCED  
COMPND  19 STAT INHIBITOR 2,SSI-2;                                              
COMPND  20 ENGINEERED: YES;                                                     
COMPND  21 MOL_ID: 4;                                                           
COMPND  22 MOLECULE: ERYTHROPOIETIN RECEPTOR;                                   
COMPND  23 CHAIN: D;                                                            
COMPND  24 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: ELOB, TCEB2;                                                   
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 MOL_ID: 2;                                                           
SOURCE   9 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  10 ORGANISM_COMMON: HUMAN;                                              
SOURCE  11 ORGANISM_TAXID: 9606;                                                
SOURCE  12 GENE: ELOC, TCEB1;                                                   
SOURCE  13 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  14 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  15 MOL_ID: 3;                                                           
SOURCE  16 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  17 ORGANISM_COMMON: HUMAN;                                              
SOURCE  18 ORGANISM_TAXID: 9606;                                                
SOURCE  19 GENE: SOCS2, CIS2, SSI2, STATI2;                                     
SOURCE  20 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
SOURCE  21 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  22 MOL_ID: 4;                                                           
SOURCE  23 SYNTHETIC: YES;                                                      
SOURCE  24 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  25 ORGANISM_COMMON: HUMAN;                                              
SOURCE  26 ORGANISM_TAXID: 9606                                                 
KEYWDS    COMPLEX, SIGNALING PROTEIN                                            
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    W.W.KUNG,S.RAMACHANDRAN,N.MAKUKHIN,E.BRUNO,A.CIULLI                   
REVDAT   3   19-JUN-19 6I4X    1       JRNL                                     
REVDAT   2   12-JUN-19 6I4X    1       TITLE  AUTHOR                            
REVDAT   1   29-MAY-19 6I4X    0                                                
JRNL        AUTH   W.W.KUNG,S.RAMACHANDRAN,N.MAKUKHIN,E.BRUNO,A.CIULLI          
JRNL        TITL   STRUCTURAL INSIGHTS INTO SUBSTRATE RECOGNITION BY THE SOCS2  
JRNL        TITL 2 E3 UBIQUITIN LIGASE.                                         
JRNL        REF    NAT COMMUN                    V.  10  2534 2019              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   31182716                                                     
JRNL        DOI    10.1038/S41467-019-10190-4                                   
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.69 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) : 2.69                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 29.36                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 93.0                           
REMARK   3   NUMBER OF REFLECTIONS             : 12266                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.199                           
REMARK   3   R VALUE            (WORKING SET) : 0.196                           
REMARK   3   FREE R VALUE                     : 0.235                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.220                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 640                             
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 29.3629 -  4.5918    0.98     2509   137  0.1691 0.1961        
REMARK   3     2  4.5918 -  3.6468    0.99     2484   144  0.1684 0.2189        
REMARK   3     3  3.6468 -  3.1865    0.99     2433   143  0.2071 0.2338        
REMARK   3     4  3.1865 -  2.8954    0.98     2449   137  0.2633 0.3064        
REMARK   3     5  2.8954 -  2.6880    0.70     1751    79  0.2950 0.4004        
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)     : 0.350            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 28.210           
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      :  0.002           2828                                  
REMARK   3   ANGLE     :  0.451           3834                                  
REMARK   3   CHIRALITY :  0.038            445                                  
REMARK   3   PLANARITY :  0.003            480                                  
REMARK   3   DIHEDRAL  :  8.504           1710                                  
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 6I4X COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 12-NOV-18.                  
REMARK 100 THE DEPOSITION ID IS D_1200012787.                                   
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 16-DEC-17                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : NULL                               
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : DIAMOND                            
REMARK 200  BEAMLINE                       : I24                                
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9686                             
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 : NULL                               
REMARK 200  DATA SCALING SOFTWARE          : AUTOPROC                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 12273                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.690                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 29.360                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL                               
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 93.2                               
REMARK 200  DATA REDUNDANCY                : 4.900                              
REMARK 200  R MERGE                    (I) : 0.10800                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 9.6000                             
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.69                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.82                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL                               
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.51400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL                               
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: PHASER                                                
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 55.11                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.74                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: SODIUM CACODYLATE, ETHANOL, HEPES,       
REMARK 280  MAGNESIUM CHLORIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE      
REMARK 280  277.15K                                                             
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 1 2 1                          
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,Y,-Z                                                 
REMARK 290       3555   X+1/2,Y+1/2,Z+1/2                                       
REMARK 290       4555   -X+1/2,Y+1/2,-Z+1/2                                     
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        0.00000            
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       17.92818            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       28.16350            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000      101.65974            
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       17.92818            
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       28.16350            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000      101.65974            
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: TETRAMERIC                        
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: TETRAMERIC                 
REMARK 350 SOFTWARE USED: PISA                                                  
REMARK 350 TOTAL BURIED SURFACE AREA: 6130 ANGSTROM**2                          
REMARK 350 SURFACE AREA OF THE COMPLEX: 16840 ANGSTROM**2                       
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -49.0 KCAL/MOL                        
REMARK 350 APPLY THE FOLLOWING TO CHAINS: B, C, A, D                            
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 A 308  LIES ON A SPECIAL POSITION.                          
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     LYS B   104                                                      
REMARK 465     MET C    16                                                      
REMARK 465     SER C    47                                                      
REMARK 465     GLY C    48                                                      
REMARK 465     PRO C    49                                                      
REMARK 465     GLY C    50                                                      
REMARK 465     GLN C    51                                                      
REMARK 465     PHE C    52                                                      
REMARK 465     ALA C    53                                                      
REMARK 465     GLU C    54                                                      
REMARK 465     ASN C    55                                                      
REMARK 465     GLU C    56                                                      
REMARK 465     ARG A   137                                                      
REMARK 465     THR A   138                                                      
REMARK 465     GLY A   139                                                      
REMARK 465     PRO A   140                                                      
REMARK 465     GLU A   141                                                      
REMARK 465     ALA A   142                                                      
REMARK 465     PRO A   143                                                      
REMARK 465     ARG A   144                                                      
REMARK 465     ASN A   145                                                      
REMARK 465     GLY A   146                                                      
REMARK 465     THR A   147                                                      
REMARK 465     ALA D    -4                                                      
REMARK 465     SER D     6                                                      
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 B  29    NE   CZ   NH1  NH2                                  
REMARK 470     GLN B  65    CG   CD   OE1  NE2                                  
REMARK 470     ASP B  82    CG   OD1  OD2                                       
REMARK 470     ASP B  83    CG   OD1  OD2                                       
REMARK 470     THR B  84    OG1  CG2                                            
REMARK 470     GLU B  98    CG   CD   OE1  OE2                                  
REMARK 470     ASP B 101    CG   OD1  OD2                                       
REMARK 470     THR C  57    OG1  CG2                                            
REMARK 470     ASN C  58    CG   OD1  ND2                                       
REMARK 470     GLU C  59    CG   CD   OE1  OE2                                  
REMARK 470     ARG C  63    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     THR C  84    OG1  CG2                                            
REMARK 470     ASN C  85    CG   OD1  ND2                                       
REMARK 470     SER C  86    OG                                                  
REMARK 470     SER C  87    OG                                                  
REMARK 470     SER A  30    OG                                                  
REMARK 470     ARG A  41    CG   CD   NE   CZ   NH1  NH2                        
REMARK 470     LYS A  63    CG   CD   CE   NZ                                   
REMARK 470     GLN A 100    CG   CD   OE1  NE2                                  
REMARK 470     ILE A 110    CG1  CG2  CD1                                       
REMARK 470     CYS A 111    SG                                                  
REMARK 470     LYS A 113    CG   CD   CE   NZ                                   
REMARK 470     LYS A 136    CG   CD   CE   NZ                                   
REMARK 470     VAL A 148    CG1  CG2                                            
REMARK 470     HIS A 149    CG   ND1  CD2  CE1  NE2                             
REMARK 470     LYS A 154    CE   NZ                                             
REMARK 470     GLU D  -1    CG   CD   OE1  OE2                                  
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    HIS B  10     -117.62     52.80                                   
REMARK 500    ASP B  47     -110.43     55.74                                   
REMARK 500    ALA B  71       81.39   -156.57                                   
REMARK 500    ASP B  82     -109.04     58.98                                   
REMARK 500    LEU C  37        0.29    -69.84                                   
REMARK 500    TYR C  83       57.01   -107.50                                   
REMARK 500    ASP C 111       74.73     56.71                                   
REMARK 500    SER A  52       46.12    -83.88                                   
REMARK 500    ILE A 110       89.04    -64.36                                   
REMARK 500    CYS A 111       -6.59     71.77                                   
REMARK 500    ASP A 135      -73.58    -60.10                                   
REMARK 500    THR A 153      -88.96   -122.28                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: binding site for residue PEG A 201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2C9W   RELATED DB: PDB                                   
REMARK 900 2C9W CONTAINS THE SAME PROTEIN COMPLEX SOCS2-ELOB-ELOC               
DBREF  6I4X B    1   104  UNP    Q15370   ELOB_HUMAN       1    104             
DBREF  6I4X C   17   112  UNP    Q15369   ELOC_HUMAN      17    112             
DBREF  6I4X A   30   198  UNP    O14508   SOCS2_HUMAN     30    198             
DBREF  6I4X D   -4     6  PDB    6I4X     6I4X            -4      6             
SEQADV 6I4X MET C   16  UNP  Q15369              INITIATING METHIONINE          
SEQADV 6I4X MET A   31  UNP  O14508    PRO    31 CONFLICT                       
SEQADV 6I4X ALA A  115  UNP  O14508    LYS   115 CONFLICT                       
SEQADV 6I4X ALA A  117  UNP  O14508    LYS   117 CONFLICT                       
SEQADV 6I4X ALA A  118  UNP  O14508    GLN   118 CONFLICT                       
SEQRES   1 B  104  MET ASP VAL PHE LEU MET ILE ARG ARG HIS LYS THR THR          
SEQRES   2 B  104  ILE PHE THR ASP ALA LYS GLU SER SER THR VAL PHE GLU          
SEQRES   3 B  104  LEU LYS ARG ILE VAL GLU GLY ILE LEU LYS ARG PRO PRO          
SEQRES   4 B  104  ASP GLU GLN ARG LEU TYR LYS ASP ASP GLN LEU LEU ASP          
SEQRES   5 B  104  ASP GLY LYS THR LEU GLY GLU CYS GLY PHE THR SER GLN          
SEQRES   6 B  104  THR ALA ARG PRO GLN ALA PRO ALA THR VAL GLY LEU ALA          
SEQRES   7 B  104  PHE ARG ALA ASP ASP THR PHE GLU ALA LEU CAS ILE GLU          
SEQRES   8 B  104  PRO PHE SER SER PRO PRO GLU LEU PRO ASP VAL MET LYS          
SEQRES   1 C   97  MET MET TYR VAL LYS LEU ILE SER SER ASP GLY HIS GLU          
SEQRES   2 C   97  PHE ILE VAL LYS ARG GLU HIS ALA LEU THR SER GLY THR          
SEQRES   3 C   97  ILE LYS ALA MET LEU SER GLY PRO GLY GLN PHE ALA GLU          
SEQRES   4 C   97  ASN GLU THR ASN GLU VAL ASN PHE ARG GLU ILE PRO SER          
SEQRES   5 C   97  HIS VAL LEU SER LYS VAL CYS MET TYR PHE THR TYR LYS          
SEQRES   6 C   97  VAL ARG TYR THR ASN SER SER THR GLU ILE PRO GLU PHE          
SEQRES   7 C   97  PRO ILE ALA PRO GLU ILE ALA LEU GLU LEU LEU MET ALA          
SEQRES   8 C   97  ALA ASN PHE LEU ASP CYS                                      
SEQRES   1 A  169  SER MET GLN ALA ALA ARG LEU ALA LYS ALA LEU ARG GLU          
SEQRES   2 A  169  LEU GLY GLN THR GLY TRP TYR TRP GLY SER MET THR VAL          
SEQRES   3 A  169  ASN GLU ALA LYS GLU LYS LEU LYS GLU ALA PRO GLU GLY          
SEQRES   4 A  169  THR PHE LEU ILE ARG ASP SER SER HIS SER ASP TYR LEU          
SEQRES   5 A  169  LEU THR ILE SER VAL LYS THR SER ALA GLY PRO THR ASN          
SEQRES   6 A  169  LEU ARG ILE GLU TYR GLN ASP GLY LYS PHE ARG LEU ASP          
SEQRES   7 A  169  SER ILE ILE CYS VAL LYS SER ALA LEU ALA ALA PHE ASP          
SEQRES   8 A  169  SER VAL VAL HIS LEU ILE ASP TYR TYR VAL GLN MET CAS          
SEQRES   9 A  169  LYS ASP LYS ARG THR GLY PRO GLU ALA PRO ARG ASN GLY          
SEQRES  10 A  169  THR VAL HIS LEU TYR LEU THR LYS PRO LEU TYR THR SER          
SEQRES  11 A  169  ALA PRO SER LEU GLN HIS LEU CYS ARG LEU THR ILE ASN          
SEQRES  12 A  169  LYS CYS THR GLY ALA ILE TRP GLY LEU PRO LEU PRO THR          
SEQRES  13 A  169  ARG LEU LYS ASP TYR LEU GLU GLU TYR LYS PHE GLN VAL          
SEQRES   1 D   11  ALA SER PHE GLU PTR THR ILE LEU ASP PRO SER                  
MODRES 6I4X CAS B   89  CYS  MODIFIED RESIDUE                                   
MODRES 6I4X CAS A  133  CYS  MODIFIED RESIDUE                                   
HET    CAS  B  89       9                                                       
HET    CAS  A 133       9                                                       
HET    PTR  D   0      16                                                       
HET    PEG  A 201       7                                                       
HETNAM     CAS S-(DIMETHYLARSENIC)CYSTEINE                                      
HETNAM     PTR O-PHOSPHOTYROSINE                                                
HETNAM     PEG DI(HYDROXYETHYL)ETHER                                            
HETSYN     PTR PHOSPHONOTYROSINE                                                
FORMUL   1  CAS    2(C5 H12 AS N O2 S)                                          
FORMUL   4  PTR    C9 H12 N O6 P                                                
FORMUL   5  PEG    C4 H10 O3                                                    
FORMUL   6  HOH   *11(H2 O)                                                     
HELIX    1 AA1 THR B   23  LYS B   36  1                                  14    
HELIX    2 AA2 PRO B   38  ASP B   40  5                                   3    
HELIX    3 AA3 ARG C   33  LEU C   37  1                                   5    
HELIX    4 AA4 SER C   39  MET C   45  1                                   7    
HELIX    5 AA5 PRO C   66  TYR C   83  1                                  18    
HELIX    6 AA6 ALA C   96  ASP C  111  1                                  16    
HELIX    7 AA7 MET A   31  GLY A   47  1                                  17    
HELIX    8 AA8 THR A   54  LEU A   62  1                                   9    
HELIX    9 AA9 SER A  121  CAS A  133  1                                  13    
HELIX   10 AB1 SER A  162  LYS A  173  1                                  12    
HELIX   11 AB2 PRO A  184  GLU A  193  1                                  10    
SHEET    1 AA1 4 GLN B  49  LEU B  50  0                                        
SHEET    2 AA1 4 GLN B  42  LYS B  46 -1  N  LYS B  46   O  GLN B  49           
SHEET    3 AA1 4 ALA B  73  ALA B  81 -1  O  GLY B  76   N  TYR B  45           
SHEET    4 AA1 4 THR B  84  PHE B  85 -1  O  THR B  84   N  ALA B  81           
SHEET    1 AA2 8 GLN B  49  LEU B  50  0                                        
SHEET    2 AA2 8 GLN B  42  LYS B  46 -1  N  LYS B  46   O  GLN B  49           
SHEET    3 AA2 8 ALA B  73  ALA B  81 -1  O  GLY B  76   N  TYR B  45           
SHEET    4 AA2 8 ASP B   2  ARG B   9  1  N  MET B   6   O  VAL B  75           
SHEET    5 AA2 8 THR B  12  LYS B  19 -1  O  ALA B  18   N  VAL B   3           
SHEET    6 AA2 8 GLU C  28  LYS C  32  1  O  ILE C  30   N  THR B  13           
SHEET    7 AA2 8 TYR C  18  ILE C  22 -1  N  LEU C  21   O  PHE C  29           
SHEET    8 AA2 8 GLU C  59  ASN C  61  1  O  VAL C  60   N  ILE C  22           
SHEET    1 AA3 4 PHE A  70  ASP A  74  0                                        
SHEET    2 AA3 4 LEU A  82  THR A  88 -1  O  THR A  83   N  ARG A  73           
SHEET    3 AA3 4 GLY A  91  GLN A 100 -1  O  LEU A  95   N  ILE A  84           
SHEET    4 AA3 4 LYS A 103  LEU A 106 -1  O  ARG A 105   N  GLU A  98           
LINK         C   LEU B  88                 N   CAS B  89     1555   1555  1.33  
LINK         C   CAS B  89                 N   ILE B  90     1555   1555  1.33  
LINK         C   MET A 132                 N   CAS A 133     1555   1555  1.33  
LINK         C   CAS A 133                 N   LYS A 134     1555   1555  1.33  
LINK         C   GLU D  -1                 N   PTR D   0     1555   1555  1.33  
LINK         C   PTR D   0                 N   THR D   1     1555   1555  1.33  
SITE     1 AC1  7 TRP A  50  LYS A  61  THR A 158  SER C  86                    
SITE     2 AC1  7 SER C  87  THR C  88  GLU C  89                               
CRYST1   41.287   56.327  203.392  90.00  91.53  90.00 I 1 2 1       4          
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      0.024221  0.000000  0.000647        0.00000                         
SCALE2      0.000000  0.017753  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.004918        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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