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Database: PDB
Entry: 3UIN
LinkDB: 3UIN
Original site: 3UIN 
HEADER    LIGASE/ISOMERASE/PROTEIN BINDING        05-NOV-11   3UIN              
TITLE     COMPLEX BETWEEN HUMAN RANGAP1-SUMO2, UBC9 AND THE IR1 DOMAIN FROM     
TITLE    2 RANBP2                                                               
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUMO-CONJUGATING ENZYME UBC9;                              
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: SUMO-PROTEIN LIGASE, UBIQUITIN CARRIER PROTEIN 9, UBIQUITIN 
COMPND   5 CARRIER PROTEIN I, UBIQUITIN-CONJUGATING ENZYME E2 I, UBIQUITIN-     
COMPND   6 PROTEIN LIGASE I, P18;                                               
COMPND   7 EC: 6.3.2.-;                                                         
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID: 2;                                                           
COMPND  10 MOLECULE: SMALL UBIQUITIN-RELATED MODIFIER 2;                        
COMPND  11 CHAIN: B;                                                            
COMPND  12 FRAGMENT: UNP RESIDUES 14-93;                                        
COMPND  13 SYNONYM: SUMO-2, HSMT3, SMT3 HOMOLOG 2, SUMO-3, SENTRIN-2, UBIQUITIN-
COMPND  14 LIKE PROTEIN SMT3A, SMT3A;                                           
COMPND  15 ENGINEERED: YES;                                                     
COMPND  16 MOL_ID: 3;                                                           
COMPND  17 MOLECULE: RAN GTPASE-ACTIVATING PROTEIN 1;                           
COMPND  18 CHAIN: C;                                                            
COMPND  19 FRAGMENT: UNP RESIDUES 419-587;                                      
COMPND  20 SYNONYM: RANGAP1;                                                    
COMPND  21 ENGINEERED: YES;                                                     
COMPND  22 MOL_ID: 4;                                                           
COMPND  23 MOLECULE: E3 SUMO-PROTEIN LIGASE RANBP2;                             
COMPND  24 CHAIN: D;                                                            
COMPND  25 FRAGMENT: UNP RESIDUES 2629-2695;                                    
COMPND  26 SYNONYM: 358 KDA NUCLEOPORIN, NUCLEAR PORE COMPLEX PROTEIN NUP358,   
COMPND  27 NUCLEOPORIN NUP358, RAN-BINDING PROTEIN 2, RANBP2, P270;             
COMPND  28 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: UBC9, UBCE9, UBE2I;                                            
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PET28B;                                   
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: SMT3A, SMT3H2, SUMO2;                                          
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  17 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  18 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  19 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  20 EXPRESSION_SYSTEM_PLASMID: PET28B;                                   
SOURCE  21 MOL_ID: 3;                                                           
SOURCE  22 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  23 ORGANISM_COMMON: HUMAN;                                              
SOURCE  24 ORGANISM_TAXID: 9606;                                                
SOURCE  25 GENE: KIAA1835, RANGAP1, SD;                                         
SOURCE  26 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  27 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  28 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  29 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  30 EXPRESSION_SYSTEM_PLASMID: PSMT3;                                    
SOURCE  31 MOL_ID: 4;                                                           
SOURCE  32 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  33 ORGANISM_COMMON: HUMAN;                                              
SOURCE  34 ORGANISM_TAXID: 9606;                                                
SOURCE  35 GENE: NUP358, RANBP2;                                                
SOURCE  36 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE  37 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE  38 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
SOURCE  39 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  40 EXPRESSION_SYSTEM_PLASMID: PSMT3                                     
KEYWDS    E3, LIGASE, SUMO, UBC9, RANBP2, NUCLEAR PORE COMPLEX, LIGASE-         
KEYWDS   2 ISOMERASE-PROTEIN BINDING COMPLEX                                    
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    J.R.GAREAU,D.REVERTER,C.D.LIMA                                        
REVDAT   3   26-JUN-13 3UIN    1       JRNL                                     
REVDAT   2   04-JAN-12 3UIN    1       JRNL                                     
REVDAT   1   28-DEC-11 3UIN    0                                                
JRNL        AUTH   J.R.GAREAU,D.REVERTER,C.D.LIMA                               
JRNL        TITL   DETERMINANTS OF SMALL UBIQUITIN-LIKE MODIFIER 1 (SUMO1)      
JRNL        TITL 2 PROTEIN SPECIFICITY, E3 LIGASE, AND SUMO-RANGAP1 BINDING     
JRNL        TITL 3 ACTIVITIES OF NUCLEOPORIN RANBP2.                            
JRNL        REF    J.BIOL.CHEM.                  V. 287  4740 2012              
JRNL        REFN                   ISSN 0021-9258                               
JRNL        PMID   22194619                                                     
JRNL        DOI    10.1074/JBC.M111.321141                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION.    2.60 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.7.2_869)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN             
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.60                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 24.41                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.480                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 24821                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.214                           
REMARK   3   R VALUE            (WORKING SET) : 0.211                           
REMARK   3   FREE R VALUE                     : 0.264                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.090                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1263                            
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 24.4119 -  5.3851    0.99     2722   143  0.1729 0.2229        
REMARK   3     2  5.3851 -  4.2819    1.00     2672   140  0.1720 0.2318        
REMARK   3     3  4.2819 -  3.7428    1.00     2618   147  0.1865 0.2297        
REMARK   3     4  3.7428 -  3.4016    1.00     2609   140  0.2118 0.2798        
REMARK   3     5  3.4016 -  3.1583    1.00     2666   127  0.2598 0.3287        
REMARK   3     6  3.1583 -  2.9724    1.00     2612   128  0.2839 0.3530        
REMARK   3     7  2.9724 -  2.8238    0.99     2580   140  0.3025 0.3245        
REMARK   3     8  2.8238 -  2.7010    0.99     2568   147  0.3276 0.3478        
REMARK   3     9  2.7010 -  2.5970    0.97     2511   151  0.3591 0.4000        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.20                                          
REMARK   3   SHRINKAGE RADIUS   : 0.98                                          
REMARK   3   K_SOL              : 0.27                                          
REMARK   3   B_SOL              : 34.63                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.800            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 27.920           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 63.73                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 79.13                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -4.15510                                             
REMARK   3    B22 (A**2) : -4.15510                                             
REMARK   3    B33 (A**2) : 8.31020                                              
REMARK   3    B12 (A**2) : -0.00000                                             
REMARK   3    B13 (A**2) : 0.00000                                              
REMARK   3    B23 (A**2) : 0.00000                                              
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      :  0.009           3690                                  
REMARK   3   ANGLE     :  1.176           4996                                  
REMARK   3   CHIRALITY :  0.081            553                                  
REMARK   3   PLANARITY :  0.006            651                                  
REMARK   3   DIHEDRAL  : 18.040           1403                                  
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 3UIN COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-NOV-11.                  
REMARK 100 THE RCSB ID CODE IS RCSB068802.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 11-AUG-05                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 7.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 24-ID-C                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.9795                             
REMARK 200  MONOCHROMATOR                  : SI(111)                            
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 315                   
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO                              
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK                          
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 24830                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.597                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 25.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.000                              
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.2                               
REMARK 200  DATA REDUNDANCY                : 8.400                              
REMARK 200  R MERGE                    (I) : 0.04000                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 17.7000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.60                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.69                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 98.0                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.35600                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 1.800                              
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: PDB ENTRY 1Z5S                                       
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 67.41                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.77                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 100 MM HEPES PH 7.5, 400 MM AMMONIUM     
REMARK 280  CITRATE, 2% ISOPROPANOL, VAPOR DIFFUSION, HANGING DROP,             
REMARK 280  TEMPERATURE 279K                                                    
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 32 2 1                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -Y,X-Y,Z+2/3                                            
REMARK 290       3555   -X+Y,-X,Z+1/3                                           
REMARK 290       4555   Y,X,-Z                                                  
REMARK 290       5555   X-Y,-Y,-Z+1/3                                           
REMARK 290       6555   -X,-X+Y,-Z+2/3                                          
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 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       38.62067            
REMARK 290   SMTRY1   3 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   3 -0.866025 -0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       19.31033            
REMARK 290   SMTRY1   4 -0.500000  0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.866025  0.500000  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        0.00000            
REMARK 290   SMTRY2   5  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       19.31033            
REMARK 290   SMTRY1   6 -0.500000 -0.866025  0.000000        0.00000            
REMARK 290   SMTRY2   6 -0.866025  0.500000  0.000000        0.00000            
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       38.62067            
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 APPLY THE FOLLOWING TO CHAINS: A, B, C, 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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     MET A     1                                                      
REMARK 465     ASN B    14                                                      
REMARK 465     ASN B    15                                                      
REMARK 465     SER C   417                                                      
REMARK 465     LEU C   418                                                      
REMARK 465     THR C   419                                                      
REMARK 465     GLY C   420                                                      
REMARK 465     GLU C   421                                                      
REMARK 465     PRO C   422                                                      
REMARK 465     ALA C   423                                                      
REMARK 465     PRO C   424                                                      
REMARK 465     VAL C   425                                                      
REMARK 465     LEU C   426                                                      
REMARK 465     SER C   427                                                      
REMARK 465     SER C   428                                                      
REMARK 465     PRO C   429                                                      
REMARK 465     PRO C   430                                                      
REMARK 465     PRO C   431                                                      
REMARK 465     SER D  2627                                                      
REMARK 465     LEU D  2628                                                      
REMARK 465     GLU D  2694                                                      
REMARK 465     LYS D  2695                                                      
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     GLU B  77    CB   CG   CD   OE1  OE2                             
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT                     
REMARK 500                                                                      
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.                            
REMARK 500                                                                      
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI           DISTANCE          
REMARK 500   C    GLY B    93     NZ   LYS C   524              1.34            
REMARK 500   NE2  GLN A   111     O    HOH A   215              2.17            
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    PRO A  69       39.32    -98.98                                   
REMARK 500    HIS A  83      137.93   -179.30                                   
REMARK 500    LYS A 101      -82.57   -139.25                                   
REMARK 500    GLU A 122       66.54   -118.00                                   
REMARK 500    PRO C 552       91.96    -69.69                                   
REMARK 500    ASP D2631      -69.36   -103.63                                   
REMARK 500    ASP D2691     -166.33   -165.95                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 ASP A  100     LYS A  101                  129.34                    
REMARK 500 SER C  572     CYS C  573                  148.70                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 1Z5S   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3UIO   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 3UIP   RELATED DB: PDB                                   
REMARK 999                                                                      
REMARK 999 SEQUENCE                                                             
REMARK 999 VAL TO MET CONFLICT IN UNP ENTRY  P61956                             
DBREF  3UIN A    1   158  UNP    P63279   UBC9_HUMAN       1    158             
DBREF  3UIN B   14    93  UNP    P61956   SUMO2_HUMAN     14     93             
DBREF  3UIN C  419   587  UNP    P46060   RAGP1_HUMAN    419    587             
DBREF  3UIN D 2629  2695  UNP    P49792   RBP2_HUMAN    2629   2695             
SEQADV 3UIN MET B   55  UNP  P61956    VAL    55 SEE REMARK 999                 
SEQADV 3UIN SER C  417  UNP  P46060              EXPRESSION TAG                 
SEQADV 3UIN LEU C  418  UNP  P46060              EXPRESSION TAG                 
SEQADV 3UIN SER D 2627  UNP  P49792              EXPRESSION TAG                 
SEQADV 3UIN LEU D 2628  UNP  P49792              EXPRESSION TAG                 
SEQRES   1 A  158  MET SER GLY ILE ALA LEU SER ARG LEU ALA GLN GLU ARG          
SEQRES   2 A  158  LYS ALA TRP ARG LYS ASP HIS PRO PHE GLY PHE VAL ALA          
SEQRES   3 A  158  VAL PRO THR LYS ASN PRO ASP GLY THR MET ASN LEU MET          
SEQRES   4 A  158  ASN TRP GLU CYS ALA ILE PRO GLY LYS LYS GLY THR PRO          
SEQRES   5 A  158  TRP GLU GLY GLY LEU PHE LYS LEU ARG MET LEU PHE LYS          
SEQRES   6 A  158  ASP ASP TYR PRO SER SER PRO PRO LYS CYS LYS PHE GLU          
SEQRES   7 A  158  PRO PRO LEU PHE HIS PRO ASN VAL TYR PRO SER GLY THR          
SEQRES   8 A  158  VAL CYS LEU SER ILE LEU GLU GLU ASP LYS ASP TRP ARG          
SEQRES   9 A  158  PRO ALA ILE THR ILE LYS GLN ILE LEU LEU GLY ILE GLN          
SEQRES  10 A  158  GLU LEU LEU ASN GLU PRO ASN ILE GLN ASP PRO ALA GLN          
SEQRES  11 A  158  ALA GLU ALA TYR THR ILE TYR CYS GLN ASN ARG VAL GLU          
SEQRES  12 A  158  TYR GLU LYS ARG VAL ARG ALA GLN ALA LYS LYS PHE ALA          
SEQRES  13 A  158  PRO SER                                                      
SEQRES   1 B   80  ASN ASN ASP HIS ILE ASN LEU LYS VAL ALA GLY GLN ASP          
SEQRES   2 B   80  GLY SER VAL VAL GLN PHE LYS ILE LYS ARG HIS THR PRO          
SEQRES   3 B   80  LEU SER LYS LEU MET LYS ALA TYR CYS GLU ARG GLN GLY          
SEQRES   4 B   80  LEU SER MET ARG GLN ILE ARG PHE ARG PHE ASP GLY GLN          
SEQRES   5 B   80  PRO ILE ASN GLU THR ASP THR PRO ALA GLN LEU GLU MET          
SEQRES   6 B   80  GLU ASP GLU ASP THR ILE ASP VAL PHE GLN GLN GLN THR          
SEQRES   7 B   80  GLY GLY                                                      
SEQRES   1 C  171  SER LEU THR GLY GLU PRO ALA PRO VAL LEU SER SER PRO          
SEQRES   2 C  171  PRO PRO ALA ASP VAL SER THR PHE LEU ALA PHE PRO SER          
SEQRES   3 C  171  PRO GLU LYS LEU LEU ARG LEU GLY PRO LYS SER SER VAL          
SEQRES   4 C  171  LEU ILE ALA GLN GLN THR ASP THR SER ASP PRO GLU LYS          
SEQRES   5 C  171  VAL VAL SER ALA PHE LEU LYS VAL SER SER VAL PHE LYS          
SEQRES   6 C  171  ASP GLU ALA THR VAL ARG MET ALA VAL GLN ASP ALA VAL          
SEQRES   7 C  171  ASP ALA LEU MET GLN LYS ALA PHE ASN SER SER SER PHE          
SEQRES   8 C  171  ASN SER ASN THR PHE LEU THR ARG LEU LEU VAL HIS MET          
SEQRES   9 C  171  GLY LEU LEU LYS SER GLU ASP LYS VAL LYS ALA ILE ALA          
SEQRES  10 C  171  ASN LEU TYR GLY PRO LEU MET ALA LEU ASN HIS MET VAL          
SEQRES  11 C  171  GLN GLN ASP TYR PHE PRO LYS ALA LEU ALA PRO LEU LEU          
SEQRES  12 C  171  LEU ALA PHE VAL THR LYS PRO ASN SER ALA LEU GLU SER          
SEQRES  13 C  171  CYS SER PHE ALA ARG HIS SER LEU LEU GLN THR LEU TYR          
SEQRES  14 C  171  LYS VAL                                                      
SEQRES   1 D   69  SER LEU ASP ASP ASP VAL LEU ILE VAL TYR GLU LEU THR          
SEQRES   2 D   69  PRO THR ALA GLU GLN LYS ALA LEU ALA THR LYS LEU LYS          
SEQRES   3 D   69  LEU PRO PRO THR PHE PHE CYS TYR LYS ASN ARG PRO ASP          
SEQRES   4 D   69  TYR VAL SER GLU GLU GLU GLU ASP ASP GLU ASP PHE GLU          
SEQRES   5 D   69  THR ALA VAL LYS LYS LEU ASN GLY LYS LEU TYR LEU ASP          
SEQRES   6 D   69  GLY SER GLU LYS                                              
FORMUL   5  HOH   *42(H2 O)                                                     
HELIX    1   1 GLY A    3  ASP A   19  1                                  17    
HELIX    2   2 LEU A   94  GLU A   98  5                                   5    
HELIX    3   3 THR A  108  GLU A  122  1                                  15    
HELIX    4   4 GLN A  130  ASN A  140  1                                  11    
HELIX    5   5 ASN A  140  PHE A  155  1                                  16    
HELIX    6   6 LEU B   40  GLY B   52  1                                  13    
HELIX    7   7 THR B   72  GLU B   77  1                                   6    
HELIX    8   8 ASP C  433  PHE C  440  1                                   8    
HELIX    9   9 SER C  442  LEU C  449  1                                   8    
HELIX   10  10 LYS C  452  THR C  461  1                                  10    
HELIX   11  11 ASP C  465  VAL C  479  1                                  15    
HELIX   12  12 GLU C  483  ASN C  503  1                                  21    
HELIX   13  13 ASN C  508  MET C  520  1                                  13    
HELIX   14  14 LEU C  535  GLN C  547  1                                  13    
HELIX   15  15 PRO C  552  ALA C  554  5                                   3    
HELIX   16  16 LEU C  555  LYS C  565  1                                  11    
HELIX   17  17 ASN C  567  SER C  572  1                                   6    
HELIX   18  18 CYS C  573  LYS C  586  1                                  14    
HELIX   19  19 THR D 2641  LEU D 2651  1                                  11    
HELIX   20  20 THR D 2656  ARG D 2663  5                                   8    
HELIX   21  21 ASP D 2676  LYS D 2683  1                                   8    
SHEET    1   A 4 VAL A  25  LYS A  30  0                                        
SHEET    2   A 4 MET A  36  PRO A  46 -1  O  ASN A  37   N  THR A  29           
SHEET    3   A 4 LEU A  57  LEU A  63 -1  O  LEU A  60   N  CYS A  43           
SHEET    4   A 4 LYS A  74  PHE A  77 -1  O  LYS A  74   N  LEU A  63           
SHEET    1   B 6 GLN B  65  PRO B  66  0                                        
SHEET    2   B 6 ILE B  58  PHE B  62 -1  N  PHE B  62   O  GLN B  65           
SHEET    3   B 6 THR B  83  GLN B  88 -1  O  ASP B  85   N  ARG B  61           
SHEET    4   B 6 ILE B  18  ALA B  23  1  N  LYS B  21   O  ILE B  84           
SHEET    5   B 6 VAL B  29  ILE B  34 -1  O  PHE B  32   N  LEU B  20           
SHEET    6   B 6 LEU D2633  GLU D2637 -1  O  LEU D2633   N  LYS B  33           
CISPEP   1 TYR A   68    PRO A   69          0        -4.85                     
CISPEP   2 GLU A   78    PRO A   79          0        -1.14                     
CRYST1  155.407  155.407   57.931  90.00  90.00 120.00 P 32 2 1      6          
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      0.006435  0.003715  0.000000        0.00000                         
SCALE2      0.000000  0.007430  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.017262        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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