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Database: PDB
Entry: 3UIP
LinkDB: 3UIP
Original site: 3UIP 
HEADER    LIGASE/ISOMERASE/PROTEIN BINDING        05-NOV-11   3UIP              
TITLE     COMPLEX BETWEEN HUMAN RANGAP1-SUMO1, UBC9 AND THE IR1 DOMAIN FROM     
TITLE    2 RANBP2 CONTAINING IR2 MOTIF II                                       
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 1;                        
COMPND  11 CHAIN: B;                                                            
COMPND  12 FRAGMENT: UNP RESIDUES 18-97;                                        
COMPND  13 SYNONYM: SUMO-1, GAP-MODIFYING PROTEIN 1, GMP1, SMT3 HOMOLOG 3,      
COMPND  14 SENTRIN, UBIQUITIN-HOMOLOGY DOMAIN PROTEIN PIC1, UBIQUITIN-LIKE      
COMPND  15 PROTEIN SMT3C, SMT3C, UBIQUITIN-LIKE PROTEIN UBL1;                   
COMPND  16 ENGINEERED: YES;                                                     
COMPND  17 MOL_ID: 3;                                                           
COMPND  18 MOLECULE: RAN GTPASE-ACTIVATING PROTEIN 1;                           
COMPND  19 CHAIN: C;                                                            
COMPND  20 FRAGMENT: UNP RESIDUES 419-587;                                      
COMPND  21 SYNONYM: RANGAP1;                                                    
COMPND  22 ENGINEERED: YES;                                                     
COMPND  23 MOL_ID: 4;                                                           
COMPND  24 MOLECULE: E3 SUMO-PROTEIN LIGASE RANBP2;                             
COMPND  25 CHAIN: D;                                                            
COMPND  26 FRAGMENT: UNP RESIDUES 2631-2695;                                    
COMPND  27 SYNONYM: 358 KDA NUCLEOPORIN, NUCLEAR PORE COMPLEX PROTEIN NUP358,   
COMPND  28 NUCLEOPORIN NUP358, RAN-BINDING PROTEIN 2, RANBP2, P270;             
COMPND  29 ENGINEERED: YES;                                                     
COMPND  30 MUTATION: YES;                                                       
COMPND  31 OTHER_DETAILS: MOTIF II OF RANBP2 IR1 WAS MUTATED TO IR2 MOTIF II.   
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: OK/SW-CL.43, SMT3C, SMT3H3, SUMO1, UBL1;                       
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   4   12-NOV-14 3UIP    1       HET    HETATM HETNAM HETSYN              
REVDAT   3   26-JUN-13 3UIP    1       JRNL                                     
REVDAT   2   04-JAN-12 3UIP    1       JRNL                                     
REVDAT   1   28-DEC-11 3UIP    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.    2.29 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.7.2_869)                    
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT 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) : 2.29                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 33.98                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.2                           
REMARK   3   NUMBER OF REFLECTIONS             : 38956                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.194                           
REMARK   3   R VALUE            (WORKING SET) : 0.192                           
REMARK   3   FREE R VALUE                     : 0.232                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.000                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1949                            
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 33.9816 -  5.5199    0.98     2787   131  0.1931 0.2107        
REMARK   3     2  5.5199 -  4.3842    0.99     2692   137  0.1596 0.1847        
REMARK   3     3  4.3842 -  3.8309    1.00     2684   141  0.1590 0.1758        
REMARK   3     4  3.8309 -  3.4810    1.00     2663   134  0.1799 0.2418        
REMARK   3     5  3.4810 -  3.2317    1.00     2678   124  0.1985 0.2347        
REMARK   3     6  3.2317 -  3.0413    1.00     2632   144  0.1954 0.2389        
REMARK   3     7  3.0413 -  2.8891    1.00     2631   147  0.2090 0.2489        
REMARK   3     8  2.8891 -  2.7634    1.00     2654   145  0.2099 0.2999        
REMARK   3     9  2.7634 -  2.6570    1.00     2609   152  0.2143 0.2521        
REMARK   3    10  2.6570 -  2.5654    1.00     2645   129  0.2167 0.3039        
REMARK   3    11  2.5654 -  2.4852    1.00     2617   137  0.2160 0.2674        
REMARK   3    12  2.4852 -  2.4142    1.00     2610   158  0.2089 0.2780        
REMARK   3    13  2.4142 -  2.3506    0.99     2597   132  0.2218 0.2430        
REMARK   3    14  2.3506 -  2.2930    0.95     2508   138  0.2465 0.3013        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : 0.33                                          
REMARK   3   B_SOL              : 36.95                                         
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.690            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 22.600           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : 30.50                          
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 38.85                          
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : -7.28050                                             
REMARK   3    B22 (A**2) : -1.58750                                             
REMARK   3    B33 (A**2) : 8.86800                                              
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      :  0.008           3693                                  
REMARK   3   ANGLE     :  1.193           4995                                  
REMARK   3   CHIRALITY :  0.081            553                                  
REMARK   3   PLANARITY :  0.006            643                                  
REMARK   3   DIHEDRAL  : 16.099           1411                                  
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 3UIP 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 RCSB068804.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 14-APR-10                          
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) : 0.9792                             
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   : 38980                              
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.293                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 35.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -1.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.5                               
REMARK 200  DATA REDUNDANCY                : 3.800                              
REMARK 200  R MERGE                    (I) : 0.05700                            
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 14.1000                            
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.29                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.38                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 99.4                               
REMARK 200  DATA REDUNDANCY IN SHELL       : 3.60                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.29400                            
REMARK 200  R SYM FOR SHELL            (I) : NULL                               
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 5.600                              
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   (%): 69.40                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 4.02                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 22% PEG4000, 100 MM HEPES PH 7.5, 400    
REMARK 280  MM AMMONIUM CITRATE, 2% ISOPROPANOL, VAPOR DIFFUSION, HANGING       
REMARK 280  DROP, TEMPERATURE 279K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 2 2 21                         
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X,-Y,Z+1/2                                             
REMARK 290       3555   -X,Y,-Z+1/2                                             
REMARK 290       4555   X,-Y,-Z                                                 
REMARK 290       5555   X+1/2,Y+1/2,Z                                           
REMARK 290       6555   -X+1/2,-Y+1/2,Z+1/2                                     
REMARK 290       7555   -X+1/2,Y+1/2,-Z+1/2                                     
REMARK 290       8555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       31.70550            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       31.70550            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290   SMTRY1   5  1.000000  0.000000  0.000000       68.32550            
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       99.59350            
REMARK 290   SMTRY3   5  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   6 -1.000000  0.000000  0.000000       68.32550            
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       99.59350            
REMARK 290   SMTRY3   6  0.000000  0.000000  1.000000       31.70550            
REMARK 290   SMTRY1   7 -1.000000  0.000000  0.000000       68.32550            
REMARK 290   SMTRY2   7  0.000000  1.000000  0.000000       99.59350            
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000       31.70550            
REMARK 290   SMTRY1   8  1.000000  0.000000  0.000000       68.32550            
REMARK 290   SMTRY2   8  0.000000 -1.000000  0.000000       99.59350            
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: 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 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 317  LIES ON A SPECIAL POSITION.                          
REMARK 375      HOH A 318  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     MET A     1                                                      
REMARK 465     GLU B    18                                                      
REMARK 465     GLY B    19                                                      
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  2629                                                      
REMARK 465     ASP D  2691                                                      
REMARK 465     GLY D  2692                                                      
REMARK 465     SER D  2693                                                      
REMARK 465     GLU D  2694                                                      
REMARK 465     LYS D  2695                                                      
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    97     NZ   LYS C   524              1.32            
REMARK 500   O    HOH C   674     O    HOH C   706              2.11            
REMARK 500   OH   TYR B    21     O    LEU D  2630              2.15            
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    HIS A  83      137.10    179.93                                   
REMARK 500    LYS A 101     -141.57   -139.64                                   
REMARK 500    SER B  31       -7.57     83.55                                   
REMARK 500    ARG D2663      158.13    175.15                                   
REMARK 500    VAL D2667      -77.14    -86.92                                   
REMARK 500    SER D2668      178.25    170.71                                   
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: 3UIN   RELATED DB: PDB                                   
DBREF  3UIP A    1   158  UNP    P63279   UBC9_HUMAN       1    158             
DBREF  3UIP B   18    97  UNP    P63165   SUMO1_HUMAN     18     97             
DBREF  3UIP C  419   587  UNP    P46060   RAGP1_HUMAN    419    587             
DBREF  3UIP D 2631  2695  UNP    P49792   RBP2_HUMAN    2631   2695             
SEQADV 3UIP SER C  417  UNP  P46060              EXPRESSION TAG                 
SEQADV 3UIP LEU C  418  UNP  P46060              EXPRESSION TAG                 
SEQADV 3UIP SER D 2629  UNP  P49792              EXPRESSION TAG                 
SEQADV 3UIP LEU D 2630  UNP  P49792              EXPRESSION TAG                 
SEQADV 3UIP VAL D 2642  UNP  P49792    ALA  2642 ENGINEERED MUTATION            
SEQADV 3UIP GLU D 2644  UNP  P49792    GLN  2644 ENGINEERED MUTATION            
SEQADV 3UIP LYS D 2647  UNP  P49792    LEU  2647 ENGINEERED MUTATION            
SEQADV 3UIP ASP D 2649  UNP  P49792    THR  2649 ENGINEERED MUTATION            
SEQADV 3UIP THR D 2650  UNP  P49792    LYS  2650 ENGINEERED MUTATION            
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 CSD 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 CME 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  GLU GLY GLU TYR ILE LYS LEU LYS VAL ILE GLY GLN ASP          
SEQRES   2 B   80  SER SER GLU ILE HIS PHE LYS VAL LYS MET THR THR HIS          
SEQRES   3 B   80  LEU LYS LYS LEU LYS GLU SER TYR CYS GLN ARG GLN GLY          
SEQRES   4 B   80  VAL PRO MET ASN SER LEU ARG PHE LEU PHE GLU GLY GLN          
SEQRES   5 B   80  ARG ILE ALA ASP ASN HIS THR PRO LYS GLU LEU GLY MET          
SEQRES   6 B   80  GLU GLU GLU ASP VAL ILE GLU VAL TYR GLN GLU 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   67  SER LEU ASP VAL LEU ILE VAL TYR GLU LEU THR PRO THR          
SEQRES   2 D   67  VAL GLU GLU LYS ALA LYS ALA ASP THR LEU LYS LEU PRO          
SEQRES   3 D   67  PRO THR PHE PHE CME TYR LYS ASN ARG PRO ASP TYR VAL          
SEQRES   4 D   67  SER GLU GLU GLU GLU ASP ASP GLU ASP PHE GLU THR ALA          
SEQRES   5 D   67  VAL LYS LYS LEU ASN GLY LYS LEU TYR LEU ASP GLY SER          
SEQRES   6 D   67  GLU LYS                                                      
MODRES 3UIP CSD A   93  CYS  3-SULFINOALANINE                                   
MODRES 3UIP CME A  138  CYS  S,S-(2-HYDROXYETHYL)THIOCYSTEINE                   
MODRES 3UIP CME D 2659  CYS  S,S-(2-HYDROXYETHYL)THIOCYSTEINE                   
HET    CSD  A  93       8                                                       
HET    CME  A 138      10                                                       
HET    CME  D2659      10                                                       
HETNAM     CSD 3-SULFINOALANINE                                                 
HETNAM     CME S,S-(2-HYDROXYETHYL)THIOCYSTEINE                                 
HETSYN     CSD S-CYSTEINESULFINIC ACID; S-SULFINOCYSTEINE                       
FORMUL   1  CSD    C3 H7 N O4 S                                                 
FORMUL   1  CME    2(C5 H11 N O3 S2)                                            
FORMUL   5  HOH   *343(H2 O)                                                    
HELIX    1   1 ILE A    4  ASP A   19  1                                  16    
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   44  GLY B   56  1                                  13    
HELIX    7   7 PRO B   58  ASN B   60  5                                   3    
HELIX    8   8 THR B   76  GLY B   81  1                                   6    
HELIX    9   9 ASP C  433  PHE C  440  1                                   8    
HELIX   10  10 SER C  442  LEU C  449  1                                   8    
HELIX   11  11 LYS C  452  THR C  461  1                                  10    
HELIX   12  12 ASP C  465  SER C  478  1                                  14    
HELIX   13  13 GLU C  483  ASN C  503  1                                  21    
HELIX   14  14 ASN C  508  MET C  520  1                                  13    
HELIX   15  15 LEU C  535  VAL C  546  1                                  12    
HELIX   16  16 PRO C  552  ALA C  554  5                                   3    
HELIX   17  17 LEU C  555  LYS C  565  1                                  11    
HELIX   18  18 ASN C  567  CYS C  573  1                                   7    
HELIX   19  19 CYS C  573  LYS C  586  1                                  14    
HELIX   20  20 THR D 2641  LEU D 2651  1                                  11    
HELIX   21  21 THR D 2656  ASN D 2662  5                                   7    
HELIX   22  22 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  76   N  ARG A  61           
SHEET    1   B 6 GLN B  69  ARG B  70  0                                        
SHEET    2   B 6 LEU B  62  PHE B  66 -1  N  PHE B  66   O  GLN B  69           
SHEET    3   B 6 VAL B  87  GLN B  92 -1  O  GLU B  89   N  LEU B  65           
SHEET    4   B 6 TYR B  21  GLY B  28  1  N  LYS B  25   O  ILE B  88           
SHEET    5   B 6 GLU B  33  LYS B  39 -1  O  VAL B  38   N  ILE B  22           
SHEET    6   B 6 VAL D2632  GLU D2637 -1  O  LEU D2633   N  LYS B  37           
LINK         C   VAL A  92                 N   CSD A  93     1555   1555  1.34  
LINK         C   CSD A  93                 N   LEU A  94     1555   1555  1.33  
LINK         C   TYR A 137                 N   CME A 138     1555   1555  1.33  
LINK         C   CME A 138                 N   GLN A 139     1555   1555  1.33  
LINK         C   PHE D2658                 N   CME D2659     1555   1555  1.33  
LINK         C   CME D2659                 N   TYR D2660     1555   1555  1.33  
CISPEP   1 SER A    2    GLY A    3          0        -2.88                     
CISPEP   2 TYR A   68    PRO A   69          0        -1.86                     
CISPEP   3 GLU A   78    PRO A   79          0         2.27                     
CISPEP   4 GLU D 2669    GLU D 2670          0        15.01                     
CRYST1  136.651  199.187   63.411  90.00  90.00  90.00 C 2 2 21      8          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.007318  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.005020  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.015770        0.00000                         
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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