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Database: PDB
Entry: 2PX9
LinkDB: 2PX9
Original site: 2PX9 
HEADER    PROTEIN BINDING                         14-MAY-07   2PX9              
TITLE     THE INTRINSIC AFFINITY BETWEEN E2 AND THE CYS DOMAIN OF E1            
TITLE    2 IN UBIQUITIN-LIKE MODIFICATIONS                                      
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: SUMO-ACTIVATING ENZYME SUBUNIT 2;                          
COMPND   3 CHAIN: A;                                                            
COMPND   4 SYNONYM: UBIQUITIN-LIKE 1- ACTIVATING ENZYME E1B,                    
COMPND   5 ANTHRACYCLINE-ASSOCIATED RESISTANCE ARX;                             
COMPND   6 EC: 6.3.2.-;                                                         
COMPND   7 MOL_ID: 2;                                                           
COMPND   8 MOLECULE: SUMO-CONJUGATING ENZYME UBC9;                              
COMPND   9 CHAIN: B;                                                            
COMPND  10 SYNONYM: SUMO-PROTEIN LIGASE, UBIQUITIN-CONJUGATING ENZYME           
COMPND  11 E2 I, UBIQUITIN-PROTEIN LIGASE I, UBIQUITIN CARRIER                  
COMPND  12 PROTEIN I, UBIQUITIN CARRIER PROTEIN 9, P18;                         
COMPND  13 EC: 6.3.2.-                                                          
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
SOURCE   4 ORGANISM_TAXID: 9606;                                                
SOURCE   5 MOL_ID: 2;                                                           
SOURCE   6 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE   7 ORGANISM_COMMON: HUMAN;                                              
SOURCE   8 ORGANISM_TAXID: 9606                                                 
KEYWDS    NMR, UBIQUITINATION, SUMO, E1, E2, UBC9, SAE2, PROTEIN-               
KEYWDS   2 PROTEIN INTERACTION, PARAMAGNETIC SPIN-LABELING, PROTEIN             
KEYWDS   3 BINDING                                                              
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    J.H.WANG,W.D.HU,S.CAI,B.LEE,J.SONG,Y.CHEN                             
REVDAT   3   24-FEB-09 2PX9    1       VERSN                                    
REVDAT   2   14-AUG-07 2PX9    1       JRNL                                     
REVDAT   1   24-JUL-07 2PX9    0                                                
JRNL        AUTH   J.WANG,W.HU,S.CAI,B.LEE,J.SONG,Y.CHEN                        
JRNL        TITL   THE INTRINSIC AFFINITY BETWEEN E2 AND THE CYS                
JRNL        TITL 2 DOMAIN OF E1 IN UBIQUITIN-LIKE MODIFICATIONS.                
JRNL        REF    MOL.CELL                      V.  27   228 2007              
JRNL        REFN                   ISSN 1097-2765                               
JRNL        PMID   17643372                                                     
JRNL        DOI    10.1016/J.MOLCEL.2007.05.023                                 
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : HADDOCK                                              
REMARK   3   AUTHORS     : DOMINGUEZ, C. ET AL.                                 
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2PX9 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 24-MAY-07.                  
REMARK 100 THE RCSB ID CODE IS RCSB042880.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.2                                
REMARK 210  IONIC STRENGTH                 : 50MM PHOSPHATE                     
REMARK 210  PRESSURE                       : 1 ATM                              
REMARK 210  SAMPLE CONTENTS                : 0.15-0.6MM E1 CYS DOMAIN,          
REMARK 210                                   0.15-0.7MM UBC9, 50MM              
REMARK 210                                   PHOSPHATE BUFFER                   
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : TROSY-HSQC, TROSY-HNCACB,          
REMARK 210                                   TROSY-HN(CO)CACB                   
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ                            
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : NMRPIPE                            
REMARK 210   METHOD USED                   : NULL                               
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 1000                               
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL                
REMARK 210                                                                      
REMARK 210 REMARK: NULL                                                         
REMARK 215                                                                      
REMARK 215 NMR STUDY                                                            
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION           
REMARK 215 NMR DATA.  PROTEIN DATA BANK CONVENTIONS REQUIRE THAT                
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON              
REMARK 215 THESE RECORDS ARE MEANINGLESS.                                       
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  1 ASN A 177     -100.97    -86.61                                   
REMARK 500  1 GLN A 204       46.80    -86.37                                   
REMARK 500  1 ALA A 216      -99.65   -121.23                                   
REMARK 500  1 ALA A 222      109.76     71.86                                   
REMARK 500  1 ALA A 226       44.16    -95.38                                   
REMARK 500  1 ASP A 234       42.35   -177.25                                   
REMARK 500  1 LYS A 260      -42.50   -139.26                                   
REMARK 500  1 LYS A 275      -41.28   -155.24                                   
REMARK 500  1 SER A 289       63.20   -101.52                                   
REMARK 500  1 GLN A 300      119.86   -162.87                                   
REMARK 500  1 PRO B  32      156.82    -46.06                                   
REMARK 500  1 LYS B 101     -105.65   -103.30                                   
REMARK 500  2 ASN A 177      -75.33    -88.22                                   
REMARK 500  2 PRO A 179       56.92    -95.20                                   
REMARK 500  2 GLU A 181      135.57    178.80                                   
REMARK 500  2 ALA A 202      -92.51    -88.47                                   
REMARK 500  2 GLN A 204       43.08    -85.06                                   
REMARK 500  2 TRP A 217     -147.12    -90.82                                   
REMARK 500  2 PRO A 219     -146.70   -102.94                                   
REMARK 500  2 ASN A 230      -97.84   -137.27                                   
REMARK 500  2 ILE A 235      -73.34   -113.12                                   
REMARK 500  2 LYS A 257      -69.50   -109.41                                   
REMARK 500  2 LYS A 260      -78.56   -139.35                                   
REMARK 500  2 ARG A 274      -45.66   -132.47                                   
REMARK 500  2 GLU A 293      -83.56    -85.77                                   
REMARK 500  2 THR A 294     -169.76   -127.79                                   
REMARK 500  2 ALA A 296      -68.55   -156.39                                   
REMARK 500  2 GLN A 300       75.43   -153.14                                   
REMARK 500  2 ASN A 301      -74.97   -106.25                                   
REMARK 500  2 ASP B  33      -28.92     75.72                                   
REMARK 500  2 LYS B 101     -124.09   -111.24                                   
REMARK 500  2 GLU B 122       77.48   -117.07                                   
REMARK 500  2 PRO B 157      109.73    -55.45                                   
REMARK 500  3 ASN A 177     -103.01    -89.00                                   
REMARK 500  3 SER A 180      -81.57    -67.11                                   
REMARK 500  3 ALA A 211       44.89   -100.38                                   
REMARK 500  3 ALA A 215     -153.12    -89.51                                   
REMARK 500  3 PRO A 219      -95.09   -102.66                                   
REMARK 500  3 ALA A 222      109.29     78.67                                   
REMARK 500  3 ASP A 234       85.14    174.36                                   
REMARK 500  3 LYS A 260      -72.68   -153.37                                   
REMARK 500  3 ARG A 274      -48.58   -139.29                                   
REMARK 500  3 GLU A 293      -71.20   -159.10                                   
REMARK 500  3 THR A 294      -93.92   -109.08                                   
REMARK 500  3 ASN A 295      -57.88   -123.91                                   
REMARK 500  3 SER A 297     -167.26   -164.90                                   
REMARK 500  3 PRO A 303      107.34    -55.84                                   
REMARK 500  3 LEU A 313     -153.93    -94.79                                   
REMARK 500  3 PRO B  32      153.79    -45.67                                   
REMARK 500  3 ASP B 100        2.55    -68.25                                   
REMARK 500  3 LYS B 101      -92.85   -121.50                                   
REMARK 500  4 ASN A 177      -99.48    -83.53                                   
REMARK 500  4 SER A 180      -84.45    -80.55                                   
REMARK 500  4 LEU A 196      -51.15   -129.72                                   
REMARK 500  4 GLN A 204       45.63    -84.34                                   
REMARK 500  4 TRP A 217      -81.15    -76.50                                   
REMARK 500  4 ARG A 227       55.61   -146.74                                   
REMARK 500  4 LYS A 257      -64.95    -95.92                                   
REMARK 500  4 LYS A 260      -71.68   -150.62                                   
REMARK 500  4 LEU A 313     -167.94    -76.19                                   
REMARK 500  4 PRO B  32      174.14    -54.17                                   
REMARK 500  4 ASP B  33       -7.81     63.93                                   
REMARK 500  4 ASP B 100       26.37    -77.43                                   
REMARK 500  4 LYS B 101      -90.20   -122.27                                   
REMARK 500  4 ASP B 102       32.50   -141.38                                   
REMARK 500  5 ASN A 177      -83.10    -91.85                                   
REMARK 500  5 GLU A 181      138.01   -179.25                                   
REMARK 500  5 GLN A 204       45.04    -97.64                                   
REMARK 500  5 ALA A 211       31.68    -98.77                                   
REMARK 500  5 ALA A 215       78.21   -155.08                                   
REMARK 500  5 ALA A 216      -75.62   -159.10                                   
REMARK 500  5 TRP A 217      -72.80   -172.12                                   
REMARK 500  5 GLU A 218      -58.09   -157.06                                   
REMARK 500  5 PRO A 219     -158.98   -108.50                                   
REMARK 500  5 ALA A 224       22.24   -156.11                                   
REMARK 500  5 LYS A 260      -70.23   -136.91                                   
REMARK 500  5 SER A 289       45.29   -107.63                                   
REMARK 500  5 GLN A 300      111.78   -168.99                                   
REMARK 500  5 PRO B  32      162.60    -49.54                                   
REMARK 500  5 ASP B  33      -33.14     78.76                                   
REMARK 500  5 LYS B 101     -102.24   -116.34                                   
REMARK 500  5 PRO B 128       58.71    -97.50                                   
REMARK 500  6 ASN A 177      -86.52    -96.68                                   
REMARK 500  6 SER A 180      -81.23    -80.60                                   
REMARK 500  6 ASP A 201     -159.53   -142.40                                   
REMARK 500  6 ALA A 216     -156.90   -145.65                                   
REMARK 500  6 ALA A 222     -115.95     49.27                                   
REMARK 500  6 LYS A 260      -65.01   -140.58                                   
REMARK 500  6 ARG A 274      -38.33   -130.63                                   
REMARK 500  6 GLU A 293     -166.86   -108.87                                   
REMARK 500  6 GLN A 299      -26.55   -147.62                                   
REMARK 500  6 ASN A 301     -151.13   -103.91                                   
REMARK 500  6 LYS B 101      -90.32    -71.13                                   
REMARK 500  7 ASN A 177      -76.34    -97.07                                   
REMARK 500  7 ASP A 201     -165.49   -110.87                                   
REMARK 500  7 ALA A 202      -65.67    -93.64                                   
REMARK 500  7 ALA A 216     -139.77   -150.22                                   
REMARK 500  7 TRP A 217     -165.57   -105.98                                   
REMARK 500  7 PRO A 219     -160.20   -100.58                                   
REMARK 500  7 THR A 220     -167.94   -110.70                                   
REMARK 500  7 ALA A 222       98.33     56.31                                   
REMARK 500  7 ALA A 228       60.66   -159.31                                   
REMARK 500  7 SER A 229      -53.33   -126.32                                   
REMARK 500  7 ASN A 230       26.72   -164.12                                   
REMARK 500  7 ASP A 232     -110.80   -136.40                                   
REMARK 500  7 ILE A 235      -73.42    -97.25                                   
REMARK 500  7 LYS A 257      -65.16   -103.52                                   
REMARK 500  7 LYS A 260      -77.67   -134.39                                   
REMARK 500  7 TRP A 273       79.88   -116.20                                   
REMARK 500  7 ARG A 274      -42.46   -132.30                                   
REMARK 500  7 GLU A 292       36.08    -83.72                                   
REMARK 500  7 ALA A 296       53.82   -114.62                                   
REMARK 500  7 ALA B  26      108.78   -161.70                                   
REMARK 500  7 PRO B  32      157.08    -48.41                                   
REMARK 500  7 ASP B  33      -34.30     81.31                                   
REMARK 500  7 LYS B 101      -72.70   -116.76                                   
REMARK 500  7 ASP B 102       66.61   -161.22                                   
REMARK 500  8 ASN A 177      -77.29    -79.44                                   
REMARK 500  8 SER A 180      -84.08    -84.59                                   
REMARK 500  8 ALA A 216      -69.90     70.58                                   
REMARK 500  8 TRP A 217     -154.52   -147.31                                   
REMARK 500  8 THR A 220     -165.47   -161.22                                   
REMARK 500  8 ILE A 235     -159.20    -74.43                                   
REMARK 500  8 LYS A 257      -66.87   -101.66                                   
REMARK 500  8 LYS A 260      -72.58   -143.18                                   
REMARK 500  8 ARG A 274      -47.59   -136.46                                   
REMARK 500  8 GLU A 292       34.46    -86.81                                   
REMARK 500  8 ASP A 298       28.71   -140.60                                   
REMARK 500  8 GLN A 299       15.52   -155.74                                   
REMARK 500  8 ASP B  33      -24.05     79.67                                   
REMARK 500  8 LYS B 101      -79.61   -128.85                                   
REMARK 500  8 ASP B 102       56.18   -144.15                                   
REMARK 500  8 PRO B 128       57.24    -97.14                                   
REMARK 500  9 ASN A 177      -81.66    -88.53                                   
REMARK 500  9 GLU A 181      136.56   -170.63                                   
REMARK 500  9 ALA A 216      -57.06   -164.41                                   
REMARK 500  9 TRP A 217     -156.85    -98.25                                   
REMARK 500  9 GLU A 218      -55.01   -124.40                                   
REMARK 500  9 THR A 220      -43.62   -141.15                                   
REMARK 500  9 ALA A 222      -26.91     72.05                                   
REMARK 500  9 ARG A 225     -157.76   -153.26                                   
REMARK 500  9 ALA A 228       98.70    -62.46                                   
REMARK 500  9 LYS A 257      -68.58    -96.54                                   
REMARK 500  9 LYS A 260      -72.28   -138.78                                   
REMARK 500  9 ARG A 274      -46.88   -134.92                                   
REMARK 500  9 ASP B  33       -7.24     61.84                                   
REMARK 500  9 LYS B 101     -124.16   -115.02                                   
REMARK 500 10 ASN A 177      -95.35    -83.49                                   
REMARK 500 10 GLU A 181      138.20   -173.84                                   
REMARK 500 10 LEU A 196      -51.55   -128.06                                   
REMARK 500 10 GLN A 204       43.65    -87.16                                   
REMARK 500 10 ALA A 215     -109.14    -93.66                                   
REMARK 500 10 ALA A 216       66.01   -152.32                                   
REMARK 500 10 ALA A 222      -38.81     74.47                                   
REMARK 500 10 GLU A 223      -78.15    -64.99                                   
REMARK 500 10 LYS A 260      -66.48   -135.42                                   
REMARK 500 10 SER A 289       64.96   -119.13                                   
REMARK 500 10 ALA A 296      -25.61   -175.80                                   
REMARK 500 10 SER A 297       63.86   -103.95                                   
REMARK 500 10 ASN A 301     -154.75   -121.16                                   
REMARK 500 10 ASP B  33        6.47     56.90                                   
REMARK 500 10 LYS B 101      -98.90    -98.52                                   
REMARK 500 10 ASN B 140       81.78   -158.17                                   
REMARK 500 11 ASN A 177      -71.10    -88.95                                   
REMARK 500 11 PRO A 179       51.79    -97.85                                   
REMARK 500 11 GLU A 181      135.93    176.00                                   
REMARK 500 11 LEU A 196      -50.37   -124.81                                   
REMARK 500 11 GLN A 204       45.70    -89.86                                   
REMARK 500 11 ALA A 216     -111.58   -131.46                                   
REMARK 500 11 TRP A 217     -127.46   -114.96                                   
REMARK 500 11 ALA A 224      -16.99   -145.92                                   
REMARK 500 11 ASN A 230      -29.05   -145.46                                   
REMARK 500 11 ASP A 234       87.33   -166.18                                   
REMARK 500 11 ILE A 235      -56.52   -121.50                                   
REMARK 500 11 LYS A 260      -67.30   -142.43                                   
REMARK 500 11 TRP A 273       66.36   -117.43                                   
REMARK 500 11 LYS A 275      -49.98   -141.46                                   
REMARK 500 11 SER A 289       41.99   -107.29                                   
REMARK 500 11 ASN A 301     -139.42    -88.10                                   
REMARK 500 11 LYS B 101     -129.86    -93.06                                   
REMARK 500 11 ASP B 102       54.64    -97.53                                   
REMARK 500 12 ASN A 177      -98.66    -87.27                                   
REMARK 500 12 PRO A 213      -19.34    -49.44                                   
REMARK 500 12 ALA A 215       70.80   -153.23                                   
REMARK 500 12 ALA A 216     -149.91   -155.36                                   
REMARK 500 12 TRP A 217     -166.92   -106.98                                   
REMARK 500 12 ARG A 225      -81.10    -74.14                                   
REMARK 500 12 ASP A 232       93.87    -67.07                                   
REMARK 500 12 ASP A 234      107.07   -163.90                                   
REMARK 500 12 ILE A 235      -81.01    -67.54                                   
REMARK 500 12 LYS A 236       91.14   -172.13                                   
REMARK 500 12 LYS A 257      -64.37    -95.34                                   
REMARK 500 12 LYS A 260      -69.10   -145.52                                   
REMARK 500 12 ARG A 274      -58.66   -129.85                                   
REMARK 500 12 SER A 289       49.08    -99.64                                   
REMARK 500 12 GLN A 299       30.14   -155.91                                   
REMARK 500 12 GLU A 302      113.04   -165.57                                   
REMARK 500 12 PRO B  32      158.28    -49.66                                   
REMARK 500 12 LYS B 101     -104.39   -115.93                                   
REMARK 500 13 ASN A 177      -77.65    -91.66                                   
REMARK 500 13 GLU A 181      142.41   -172.27                                   
REMARK 500 13 LEU A 196      -51.30   -124.02                                   
REMARK 500 13 GLN A 204       40.35    -80.04                                   
REMARK 500 13 PRO A 213      -28.53    -39.41                                   
REMARK 500 13 ALA A 215       33.53   -146.48                                   
REMARK 500 13 TRP A 217      -71.16    -84.27                                   
REMARK 500 13 GLU A 218      -60.82    -92.05                                   
REMARK 500 13 THR A 220      -69.99     67.69                                   
REMARK 500 13 GLU A 221     -133.93    -90.28                                   
REMARK 500 13 ALA A 222      -91.15     56.08                                   
REMARK 500 13 LYS A 260      -69.30   -137.67                                   
REMARK 500 13 TRP A 273       66.46   -118.14                                   
REMARK 500 13 LYS A 275      -51.84   -139.29                                   
REMARK 500 13 SER A 297       47.28    -80.94                                   
REMARK 500 13 GLN A 300      110.46   -160.37                                   
REMARK 500 13 ASN A 301      -64.77    -98.07                                   
REMARK 500 13 ASP B  33      -28.82     80.81                                   
REMARK 500 13 LYS B 101     -103.35   -114.82                                   
REMARK 500 14 ASN A 177      -82.92    -87.97                                   
REMARK 500 14 GLN A 204       42.58    -76.54                                   
REMARK 500 14 TRP A 217      -81.15    -79.50                                   
REMARK 500 14 ALA A 222      -93.74     63.85                                   
REMARK 500 14 ALA A 224     -169.63   -129.63                                   
REMARK 500 14 ALA A 228       37.57    -84.57                                   
REMARK 500 14 ARG A 237       51.49    -98.00                                   
REMARK 500 14 SER A 239       91.70    -65.49                                   
REMARK 500 14 LYS A 257      -63.72    -97.89                                   
REMARK 500 14 LYS A 260      -72.43   -143.36                                   
REMARK 500 14 ARG A 274      -57.39   -123.61                                   
REMARK 500 14 GLU A 293      -96.69   -124.19                                   
REMARK 500 14 ASN A 295      -89.87    -73.20                                   
REMARK 500 14 ASP B  33      -31.59     75.51                                   
REMARK 500 14 LYS B 101      -88.99   -130.49                                   
REMARK 500 15 ASN A 177      -82.15    -91.54                                   
REMARK 500 15 ALA A 216     -147.53   -151.22                                   
REMARK 500 15 GLU A 221      -92.46    -80.32                                   
REMARK 500 15 ALA A 222      -62.95     70.13                                   
REMARK 500 15 ILE A 235       35.36   -146.60                                   
REMARK 500 15 LYS A 257      -67.27   -100.56                                   
REMARK 500 15 LYS A 260      -71.60   -138.37                                   
REMARK 500 15 TRP A 273       79.19   -103.06                                   
REMARK 500 15 ARG A 274      -56.71   -124.96                                   
REMARK 500 15 ALA B  26      107.62   -160.55                                   
REMARK 500 15 PRO B  32      154.87    -43.63                                   
REMARK 500 15 LYS B 101      -84.93   -123.04                                   
REMARK 500 15 GLU B 122       79.74   -119.61                                   
REMARK 500 16 ASN A 177      -76.99    -97.79                                   
REMARK 500 16 GLN A 204       39.99    -80.90                                   
REMARK 500 16 ASP A 212      110.61     68.70                                   
REMARK 500 16 ALA A 215     -159.28   -103.75                                   
REMARK 500 16 ALA A 216     -127.18     53.86                                   
REMARK 500 16 THR A 220      -50.02   -146.62                                   
REMARK 500 16 GLU A 221       49.71   -100.55                                   
REMARK 500 16 ALA A 222      135.08     75.17                                   
REMARK 500 16 ILE A 235      -67.44    -94.58                                   
REMARK 500 16 LYS A 257      -62.26   -104.23                                   
REMARK 500 16 LYS A 260      -67.04   -141.43                                   
REMARK 500 16 ARG A 274      -50.24   -123.75                                   
REMARK 500 16 SER A 289       48.44   -149.09                                   
REMARK 500 16 LYS B 101     -113.81    -95.88                                   
REMARK 500 17 ASN A 177      -86.74    -95.61                                   
REMARK 500 17 ALA A 216      -88.51   -145.57                                   
REMARK 500 17 TRP A 217     -158.84    -90.37                                   
REMARK 500 17 ALA A 222     -149.75     55.60                                   
REMARK 500 17 SER A 239      103.63    -57.58                                   
REMARK 500 17 LYS A 257      -61.56   -106.00                                   
REMARK 500 17 LYS A 260      -69.54   -141.39                                   
REMARK 500 17 TRP A 273       77.38   -114.36                                   
REMARK 500 17 ARG A 274      -46.92   -133.21                                   
REMARK 500 17 SER A 289       56.39   -105.94                                   
REMARK 500 17 GLN A 300     -141.56   -128.27                                   
REMARK 500 17 PRO B  32      161.56    -44.55                                   
REMARK 500 17 ASP B  33        6.57     59.88                                   
REMARK 500 17 LYS B 101      -83.44   -102.40                                   
REMARK 500 17 ASP B 102       35.89   -146.50                                   
REMARK 500 17 ASN B 140       89.35   -153.66                                   
REMARK 500 17 PRO B 157      109.26    -56.37                                   
REMARK 500 18 ASN A 177      -77.74    -85.38                                   
REMARK 500 18 PRO A 179       58.02    -95.13                                   
REMARK 500 18 GLU A 181      136.84   -172.98                                   
REMARK 500 18 GLN A 204       40.92    -86.02                                   
REMARK 500 18 GLU A 218      -63.59    -98.56                                   
REMARK 500 18 THR A 220      160.17    178.69                                   
REMARK 500 18 GLU A 221     -167.53   -121.99                                   
REMARK 500 18 ALA A 222      -67.10     67.50                                   
REMARK 500 18 LYS A 260      -69.45   -154.20                                   
REMARK 500 18 SER A 289       46.75   -103.70                                   
REMARK 500 18 THR A 294     -164.32   -104.23                                   
REMARK 500 18 ALA A 296      -90.97    -86.74                                   
REMARK 500 18 PRO B  32      154.83    -45.74                                   
REMARK 500 18 ASP B  33      -35.84     80.99                                   
REMARK 500 18 LYS B 101      -76.66    -94.22                                   
REMARK 500 18 ASP B 102       89.82   -162.62                                   
REMARK 500 19 ASN A 177      -84.74    -86.58                                   
REMARK 500 19 SER A 180      -79.77    -63.85                                   
REMARK 500 19 ALA A 216      -43.32   -171.07                                   
REMARK 500 19 LYS A 257      -65.63    -98.36                                   
REMARK 500 19 LYS A 260      -76.65   -148.28                                   
REMARK 500 19 ARG A 274      -57.32   -129.93                                   
REMARK 500 19 SER A 289       63.34   -108.89                                   
REMARK 500 19 GLU A 293     -169.48   -178.04                                   
REMARK 500 19 ALA B  26       99.99   -160.53                                   
REMARK 500 19 ASP B  33      -15.22     94.20                                   
REMARK 500 19 LYS B 101      -74.47    -99.40                                   
REMARK 500 19 ASP B 102       20.56   -150.36                                   
REMARK 500 19 PRO B 157      109.68    -51.72                                   
REMARK 500 20 ASN A 177      -86.66    -95.57                                   
REMARK 500 20 THR A 220      174.93    178.58                                   
REMARK 500 20 ALA A 226       32.62    -75.24                                   
REMARK 500 20 ALA A 228      -69.07   -178.65                                   
REMARK 500 20 ASN A 230      -75.67   -175.47                                   
REMARK 500 20 LYS A 257      -73.25    -82.13                                   
REMARK 500 20 LYS A 260      -73.27   -147.95                                   
REMARK 500 20 ARG A 274      -51.44   -147.11                                   
REMARK 500 20 SER A 289       48.01   -100.65                                   
REMARK 500 20 GLN A 290       88.32    -66.42                                   
REMARK 500 20 GLU A 293     -143.02   -133.58                                   
REMARK 500 20 SER A 297       43.98    -86.63                                   
REMARK 500 20 ASP B  33       -0.89     66.21                                   
REMARK 500 20 LYS B 101      -93.89   -111.71                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  2PX9 A  166   382  UNP    Q9UBT2   SAE2_HUMAN     166    382             
DBREF  2PX9 B    1   158  UNP    P63279   UBC9_HUMAN       1    158             
SEQRES   1 A  217  THR GLN ARG THR PHE PRO GLY CYS THR ILE ARG ASN THR          
SEQRES   2 A  217  PRO SER GLU PRO ILE HIS CYS ILE VAL TRP ALA LYS TYR          
SEQRES   3 A  217  LEU PHE ASN GLN LEU PHE GLY GLU GLU ASP ALA ASP GLN          
SEQRES   4 A  217  GLU VAL SER PRO ASP ARG ALA ASP PRO GLU ALA ALA TRP          
SEQRES   5 A  217  GLU PRO THR GLU ALA GLU ALA ARG ALA ARG ALA SER ASN          
SEQRES   6 A  217  GLU ASP GLY ASP ILE LYS ARG ILE SER THR LYS GLU TRP          
SEQRES   7 A  217  ALA LYS SER THR GLY TYR ASP PRO VAL LYS LEU PHE THR          
SEQRES   8 A  217  LYS LEU PHE LYS ASP ASP ILE ARG TYR LEU LEU THR MET          
SEQRES   9 A  217  ASP LYS LEU TRP ARG LYS ARG LYS PRO PRO VAL PRO LEU          
SEQRES  10 A  217  ASP TRP ALA GLU VAL GLN SER GLN GLY GLU GLU THR ASN          
SEQRES  11 A  217  ALA SER ASP GLN GLN ASN GLU PRO GLN LEU GLY LEU LYS          
SEQRES  12 A  217  ASP GLN GLN VAL LEU ASP VAL LYS SER TYR ALA ARG LEU          
SEQRES  13 A  217  PHE SER LYS SER ILE GLU THR LEU ARG VAL HIS LEU ALA          
SEQRES  14 A  217  GLU LYS GLY ASP GLY ALA GLU LEU ILE TRP ASP LYS ASP          
SEQRES  15 A  217  ASP PRO SER ALA MET ASP PHE VAL THR SER ALA ALA ASN          
SEQRES  16 A  217  LEU ARG MET HIS ILE PHE SER MET ASN MET LYS SER ARG          
SEQRES  17 A  217  PHE ASP ILE LYS SER MET ALA GLY ASN                          
SEQRES   1 B  158  MET SER GLY ILE ALA LEU SER ARG LEU ALA GLN GLU ARG          
SEQRES   2 B  158  LYS ALA TRP ARG LYS ASP HIS PRO PHE GLY PHE VAL ALA          
SEQRES   3 B  158  VAL PRO THR LYS ASN PRO ASP GLY THR MET ASN LEU MET          
SEQRES   4 B  158  ASN TRP GLU CYS ALA ILE PRO GLY LYS LYS GLY THR PRO          
SEQRES   5 B  158  TRP GLU GLY GLY LEU PHE LYS LEU ARG MET LEU PHE LYS          
SEQRES   6 B  158  ASP ASP TYR PRO SER SER PRO PRO LYS CYS LYS PHE GLU          
SEQRES   7 B  158  PRO PRO LEU PHE HIS PRO ASN VAL TYR PRO SER GLY THR          
SEQRES   8 B  158  VAL CYS LEU SER ILE LEU GLU GLU ASP LYS ASP TRP ARG          
SEQRES   9 B  158  PRO ALA ILE THR ILE LYS GLN ILE LEU LEU GLY ILE GLN          
SEQRES  10 B  158  GLU LEU LEU ASN GLU PRO ASN ILE GLN ASP PRO ALA GLN          
SEQRES  11 B  158  ALA GLU ALA TYR THR ILE TYR CYS GLN ASN ARG VAL GLU          
SEQRES  12 B  158  TYR GLU LYS ARG VAL ARG ALA GLN ALA LYS LYS PHE ALA          
SEQRES  13 B  158  PRO SER                                                      
HELIX    1   1 PRO A  171  ASN A  177  1                                   7    
HELIX    2   2 GLU A  181  GLY A  198  1                                  18    
HELIX    3   3 SER A  239  THR A  247  1                                   9    
HELIX    4   4 ASP A  250  PHE A  259  1                                  10    
HELIX    5   5 ASP A  261  LEU A  267  1                                   7    
HELIX    6   6 THR A  268  TRP A  273  5                                   6    
HELIX    7   7 ASP A  283  SER A  289  1                                   7    
HELIX    8   8 LEU A  307  GLN A  311  5                                   5    
HELIX    9   9 ASP A  314  GLY A  337  1                                  24    
HELIX   10  10 ASP A  348  PHE A  366  1                                  19    
HELIX   11  11 SER A  372  ASN A  382  1                                  11    
HELIX   12  12 GLY B    3  ASP B   19  1                                  17    
HELIX   13  13 LEU B   94  GLU B   98  5                                   5    
HELIX   14  14 THR B  108  GLU B  122  1                                  15    
HELIX   15  15 GLN B  130  ASN B  140  1                                  11    
HELIX   16  16 ASN B  140  PHE B  155  1                                  16    
SHEET    1   A 4 PRO B  28  THR B  29  0                                        
SHEET    2   A 4 ASN B  37  PRO B  46 -1  O  ASN B  40   N  THR B  29           
SHEET    3   A 4 LEU B  57  LEU B  63 -1  O  PHE B  58   N  ILE B  45           
SHEET    4   A 4 CYS B  75  PHE B  77 -1  O  LYS B  76   N  ARG B  61           
CISPEP   1 GLU A  218    PRO A  219          1        -1.47                     
CISPEP   2 TYR B   68    PRO B   69          1         0.41                     
CISPEP   3 GLU B   78    PRO B   79          1        -0.50                     
CISPEP   4 GLU A  218    PRO A  219          2        -0.33                     
CISPEP   5 TYR B   68    PRO B   69          2         0.79                     
CISPEP   6 GLU B   78    PRO B   79          2         0.00                     
CISPEP   7 GLU A  218    PRO A  219          3        -1.77                     
CISPEP   8 TYR B   68    PRO B   69          3         0.45                     
CISPEP   9 GLU B   78    PRO B   79          3        -0.02                     
CISPEP  10 GLU A  218    PRO A  219          4        -1.13                     
CISPEP  11 TYR B   68    PRO B   69          4         0.61                     
CISPEP  12 GLU B   78    PRO B   79          4        -0.25                     
CISPEP  13 GLU A  218    PRO A  219          5        -1.72                     
CISPEP  14 TYR B   68    PRO B   69          5         1.13                     
CISPEP  15 GLU B   78    PRO B   79          5        -0.27                     
CISPEP  16 GLU A  218    PRO A  219          6        -1.82                     
CISPEP  17 TYR B   68    PRO B   69          6         0.41                     
CISPEP  18 GLU B   78    PRO B   79          6        -0.18                     
CISPEP  19 GLU A  218    PRO A  219          7        -0.04                     
CISPEP  20 TYR B   68    PRO B   69          7         0.57                     
CISPEP  21 GLU B   78    PRO B   79          7        -0.04                     
CISPEP  22 GLU A  218    PRO A  219          8        -1.21                     
CISPEP  23 TYR B   68    PRO B   69          8         0.40                     
CISPEP  24 GLU B   78    PRO B   79          8         0.34                     
CISPEP  25 GLU A  218    PRO A  219          9        -0.92                     
CISPEP  26 TYR B   68    PRO B   69          9         0.53                     
CISPEP  27 GLU B   78    PRO B   79          9        -0.44                     
CISPEP  28 GLU A  218    PRO A  219         10         0.13                     
CISPEP  29 TYR B   68    PRO B   69         10         0.72                     
CISPEP  30 GLU B   78    PRO B   79         10        -0.03                     
CISPEP  31 GLU A  218    PRO A  219         11        -0.26                     
CISPEP  32 TYR B   68    PRO B   69         11         0.47                     
CISPEP  33 GLU B   78    PRO B   79         11        -0.15                     
CISPEP  34 GLU A  218    PRO A  219         12        -0.14                     
CISPEP  35 TYR B   68    PRO B   69         12         0.37                     
CISPEP  36 GLU B   78    PRO B   79         12         0.38                     
CISPEP  37 GLU A  218    PRO A  219         13        -0.51                     
CISPEP  38 TYR B   68    PRO B   69         13         0.43                     
CISPEP  39 GLU B   78    PRO B   79         13         0.14                     
CISPEP  40 GLU A  218    PRO A  219         14        -1.63                     
CISPEP  41 TYR B   68    PRO B   69         14         1.11                     
CISPEP  42 GLU B   78    PRO B   79         14         0.23                     
CISPEP  43 GLU A  218    PRO A  219         15        -1.43                     
CISPEP  44 TYR B   68    PRO B   69         15         0.39                     
CISPEP  45 GLU B   78    PRO B   79         15        -0.04                     
CISPEP  46 GLU A  218    PRO A  219         16         0.59                     
CISPEP  47 TYR B   68    PRO B   69         16         0.16                     
CISPEP  48 GLU B   78    PRO B   79         16        -0.59                     
CISPEP  49 GLU A  218    PRO A  219         17        -0.32                     
CISPEP  50 TYR B   68    PRO B   69         17         0.55                     
CISPEP  51 GLU B   78    PRO B   79         17         0.24                     
CISPEP  52 GLU A  218    PRO A  219         18        -0.70                     
CISPEP  53 TYR B   68    PRO B   69         18         1.02                     
CISPEP  54 GLU B   78    PRO B   79         18        -0.52                     
CISPEP  55 GLU A  218    PRO A  219         19        -1.72                     
CISPEP  56 TYR B   68    PRO B   69         19         0.28                     
CISPEP  57 GLU B   78    PRO B   79         19         0.27                     
CISPEP  58 GLU A  218    PRO A  219         20        -1.35                     
CISPEP  59 TYR B   68    PRO B   69         20         0.57                     
CISPEP  60 GLU B   78    PRO B   79         20        -0.15                     
CRYST1    1.000    1.000    1.000  90.00  90.00  90.00 P 1           1          
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      1.000000  0.000000  0.000000        0.00000                         
SCALE2      0.000000  1.000000  0.000000        0.00000                         
SCALE3      0.000000  0.000000  1.000000        0.00000                         
MODEL        1                                                                  
(ATOM LINES ARE NOT SHOWN.)
END                                                                             
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