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Database: PDB
Entry: 1K4U
LinkDB: 1K4U
Original site: 1K4U 
HEADER    HORMONE/GROWTH FACTOR                   08-OCT-01   1K4U              
TITLE     SOLUTION STRUCTURE OF THE C-TERMINAL SH3 DOMAIN OF P67PHOX            
TITLE    2 COMPLEXED WITH THE C-TERMINAL TAIL REGION OF P47PHOX                 
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: PHAGOCYTE NADPH OXIDASE SUBUNIT P67PHOX;                   
COMPND   3 CHAIN: S;                                                            
COMPND   4 FRAGMENT: C-TERMINAL SH3 DOMAIN (RESIDUES 455-516);                  
COMPND   5 SYNONYM: NEUTROPHIL CYTOSOL FACTOR 2;                                
COMPND   6 ENGINEERED: YES;                                                     
COMPND   7 MUTATION: YES;                                                       
COMPND   8 MOL_ID: 2;                                                           
COMPND   9 MOLECULE: PHAGOCYTE NADPH OXIDASE SUBUNIT P47PHOX;                   
COMPND  10 CHAIN: P;                                                            
COMPND  11 FRAGMENT: TAIL PEPTIDE (RESIDUES 359-390);                           
COMPND  12 SYNONYM: NEUTROPHIL CYTOSOL FACTOR 1;                                
COMPND  13 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: NCF2;                                                          
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
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: PGEX-2T;                                  
SOURCE  11 MOL_ID: 2;                                                           
SOURCE  12 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
SOURCE  13 ORGANISM_COMMON: HUMAN;                                              
SOURCE  14 ORGANISM_TAXID: 9606;                                                
SOURCE  15 GENE: NCF1;                                                          
SOURCE  16 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3);                       
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: PGEX-2T                                   
KEYWDS    P67PHOX, P47PHOX, SH3-PEPTIDE COMPLEX, HELIX-TURN-HELIX,              
KEYWDS   2 HORMONE/GROWTH FACTOR COMPLEX                                        
EXPDTA    SOLUTION NMR                                                          
NUMMDL    22                                                                    
AUTHOR    K.KAMI,R.TAKEYA,H.SUMIMOTO,D.KOHDA                                    
REVDAT   4   24-FEB-09 1K4U    1       VERSN                                    
REVDAT   3   01-APR-03 1K4U    1       JRNL                                     
REVDAT   2   21-AUG-02 1K4U    1       JRNL                                     
REVDAT   1   08-APR-02 1K4U    0                                                
JRNL        AUTH   K.KAMI,R.TAKEYA,H.SUMIMOTO,D.KOHDA                           
JRNL        TITL   DIVERSE RECOGNITION OF NON-PXXP PEPTIDE LIGANDS BY           
JRNL        TITL 2 THE SH3 DOMAINS FROM P67(PHOX), GRB2 AND PEX13P.             
JRNL        REF    EMBO J.                       V.  21  4268 2002              
JRNL        REFN                   ISSN 0261-4189                               
JRNL        PMID   12169629                                                     
JRNL        DOI    10.1093/EMBOJ/CDF428                                         
REMARK   1                                                                      
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : CNS 1.0                                              
REMARK   3   AUTHORS     : BRUNGER                                              
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: THE STRUCTURES ARE BASED ON A TOTAL       
REMARK   3  OF 693 RESTRAINTS, 611 ARE NOE-DERIVED DISTANCE CONSTRAINTS,        
REMARK   3  82 DIHEDRAL ANGLE RESTRAINTS. NO HYDROGEN BOND RESTRAINT WAS        
REMARK   3  USED.                                                               
REMARK   4                                                                      
REMARK   4 1K4U COMPLIES WITH FORMAT V. 3.15, 01-DEC-08                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 11-OCT-01.                  
REMARK 100 THE RCSB ID CODE IS RCSB014562.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.1                                
REMARK 210  IONIC STRENGTH                 : 100MM KCL                          
REMARK 210  PRESSURE                       : 1ATM                               
REMARK 210  SAMPLE CONTENTS                : 0.7MM P67SH3(C) U-15N,13C;         
REMARK 210                                   0.77MM P47 TAIL PEPTIDE; 5MM       
REMARK 210                                   MOPSO BUFFER; 30 MM D10-DTT;       
REMARK 210                                   100MM KCL; 0.5MM P47 TAIL          
REMARK 210                                   PEPTIDE U-15N,13C; 0.55MM          
REMARK 210                                   P67SH3(C); 5MM MOPSO BUFFER;       
REMARK 210                                   30MM D10-DTT; 100MM KCL            
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : HNCA, HN(CO)CA, CBCA(CO)NH,        
REMARK 210                                   HNCACB, HBHA(CO)NH, HCCH-COSY,     
REMARK 210                                   HCCH-TOCSY, CCH-COSY, 15N-         
REMARK 210                                   RESOLVED NOESY, 15-RESOLVED        
REMARK 210                                   TOCSY, HNHA, HNHB, 3D_F1 13C-      
REMARK 210                                   FILTERED-F3 13C-RESOLVED           
REMARK 210                                   NOESY, 3D_F1 15N-FILTERED-F3       
REMARK 210                                   15N-RESOLVED NOESY, 2D_SPIN-       
REMARK 210                                   ECHO DIFFERENCE EXPERIMENTS        
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ, 750 MHZ                   
REMARK 210  SPECTROMETER MODEL             : DMX                                
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CNS 1.0                            
REMARK 210   METHOD USED                   : SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 22                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : STRUCTURES WITH THE LOWEST         
REMARK 210                                   ENERGY                             
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 7                   
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 SER S 460     -166.32   -166.36                                   
REMARK 500  1 LEU S 465      -32.28   -142.85                                   
REMARK 500  1 PRO S 473      -75.83    -61.66                                   
REMARK 500  1 ILE S 483       78.69   -111.82                                   
REMARK 500  1 SER S 488      177.16    169.02                                   
REMARK 500  1 ASN S 491       31.01   -175.51                                   
REMARK 500  1 GLU S 492      -57.48     75.03                                   
REMARK 500  1 LYS S 500       77.88     71.02                                   
REMARK 500  1 VAL S 511       80.09   -155.52                                   
REMARK 500  1 GLU S 512        0.98    -63.21                                   
REMARK 500  1 ASP S 513      160.08     66.38                                   
REMARK 500  1 SER S 514      -41.71   -136.19                                   
REMARK 500  1 ALA S 515      108.00   -161.62                                   
REMARK 500  1 GLN P 362      156.29    -48.36                                   
REMARK 500  1 ALA P 364      100.15    -51.29                                   
REMARK 500  1 PRO P 367       91.57    -66.04                                   
REMARK 500  1 ARG P 368      140.98    -39.53                                   
REMARK 500  1 PRO P 369      149.71    -33.16                                   
REMARK 500  1 ALA P 371      -45.82    -28.18                                   
REMARK 500  1 LEU P 386      -81.51    -97.61                                   
REMARK 500  1 ALA P 389     -178.45     57.70                                   
REMARK 500  2 LYS S 458     -170.07    -57.98                                   
REMARK 500  2 SER S 460     -163.08    -74.62                                   
REMARK 500  2 ALA S 470      110.27    -39.52                                   
REMARK 500  2 PRO S 473      -70.66    -68.39                                   
REMARK 500  2 ILE S 483       76.79   -103.61                                   
REMARK 500  2 SER S 488      162.74    171.53                                   
REMARK 500  2 ASN S 491       32.10   -174.71                                   
REMARK 500  2 GLU S 492      -58.44     75.26                                   
REMARK 500  2 SER S 499     -142.83    -89.14                                   
REMARK 500  2 LYS S 500      -86.62    -37.16                                   
REMARK 500  2 VAL S 511       56.80   -157.47                                   
REMARK 500  2 SER S 514     -159.19     77.80                                   
REMARK 500  2 ALA S 515       82.70     75.48                                   
REMARK 500  2 GLN P 362      154.31    -46.67                                   
REMARK 500  2 ALA P 364      101.68    -50.05                                   
REMARK 500  2 PRO P 369      151.34    -25.57                                   
REMARK 500  2 SER P 370       34.17    -73.97                                   
REMARK 500  2 ALA P 371      -63.70     65.38                                   
REMARK 500  2 ALA P 389      -69.59     68.55                                   
REMARK 500  3 LEU S 456      179.49    -59.36                                   
REMARK 500  3 LYS S 458      -72.47   -104.86                                   
REMARK 500  3 SER S 460     -160.43    -73.46                                   
REMARK 500  3 VAL S 462      118.10   -160.33                                   
REMARK 500  3 PRO S 473      -77.70    -62.00                                   
REMARK 500  3 GLU S 474      -37.65    -39.74                                   
REMARK 500  3 SER S 488      167.17    167.47                                   
REMARK 500  3 ASN S 491       34.38   -176.58                                   
REMARK 500  3 GLU S 492      -56.68     69.37                                   
REMARK 500  3 LYS S 500       91.18     59.32                                   
REMARK 500  3 GLU S 512     -146.10     33.83                                   
REMARK 500  3 SER S 514      -67.92   -148.15                                   
REMARK 500  3 ALA S 515      149.15     62.45                                   
REMARK 500  3 GLN P 362      154.95    -46.72                                   
REMARK 500  3 PRO P 367       88.36    -51.91                                   
REMARK 500  3 ALA P 371      -60.19     69.29                                   
REMARK 500  3 SER P 379      -89.81    -60.23                                   
REMARK 500  3 GLU P 380      -43.92   -168.55                                   
REMARK 500  3 LEU P 386      -93.83    -95.42                                   
REMARK 500  3 SER P 388      -36.46   -177.46                                   
REMARK 500  4 LEU S 456      177.49     60.15                                   
REMARK 500  4 LEU S 465       -5.69   -142.07                                   
REMARK 500  4 PRO S 473      -70.81    -62.12                                   
REMARK 500  4 SER S 488      163.02    169.43                                   
REMARK 500  4 ASN S 491     -165.19   -165.07                                   
REMARK 500  4 GLU S 493       48.27   -148.47                                   
REMARK 500  4 LYS S 500       73.72     66.57                                   
REMARK 500  4 VAL S 511       61.04   -153.40                                   
REMARK 500  4 GLU S 512       13.89    -65.67                                   
REMARK 500  4 ASP S 513     -165.16    -73.91                                   
REMARK 500  4 SER S 514       81.33   -175.88                                   
REMARK 500  4 GLN P 362      156.85    -47.38                                   
REMARK 500  4 ALA P 364      103.02    -49.84                                   
REMARK 500  4 PRO P 367       94.45    -65.22                                   
REMARK 500  4 ARG P 368      159.77    -39.37                                   
REMARK 500  4 PRO P 369      173.38    -48.97                                   
REMARK 500  4 ALA P 371      -56.53     70.22                                   
REMARK 500  4 SER P 388       36.44   -149.53                                   
REMARK 500  5 VAL S 462      104.38   -160.29                                   
REMARK 500  5 GLU S 463      150.81    -45.45                                   
REMARK 500  5 GLU S 469       98.41    -65.80                                   
REMARK 500  5 PRO S 473      -74.17    -54.40                                   
REMARK 500  5 SER S 488     -175.59    175.71                                   
REMARK 500  5 VAL S 490      -96.36   -106.33                                   
REMARK 500  5 GLU S 493       42.33   -142.52                                   
REMARK 500  5 LYS S 500      -95.25     66.85                                   
REMARK 500  5 VAL S 511        8.64   -153.02                                   
REMARK 500  5 GLU S 512     -145.32     31.93                                   
REMARK 500  5 SER S 514      -74.19   -147.48                                   
REMARK 500  5 GLN P 362      154.95    -47.81                                   
REMARK 500  5 PRO P 367       95.69    -66.49                                   
REMARK 500  5 ARG P 368      159.32    -39.56                                   
REMARK 500  5 PRO P 369      176.82    -48.10                                   
REMARK 500  5 ALA P 371      -64.55     67.23                                   
REMARK 500  5 LEU P 386       36.70   -173.56                                   
REMARK 500  5 ALA P 387       83.88    -63.51                                   
REMARK 500  6 VAL S 462      119.59   -160.70                                   
REMARK 500  6 SER S 488      168.66    165.57                                   
REMARK 500  6 ASN S 491       35.42   -179.56                                   
REMARK 500  6 GLU S 492      -58.65     73.36                                   
REMARK 500  6 LYS S 500       86.83     62.98                                   
REMARK 500  6 VAL S 511       57.25   -153.15                                   
REMARK 500  6 GLU S 512       13.38    -68.36                                   
REMARK 500  6 ASP S 513     -163.96    -67.03                                   
REMARK 500  6 SER S 514       80.73   -168.60                                   
REMARK 500  6 ALA S 515      -71.32     67.55                                   
REMARK 500  6 GLN P 362      157.24    -46.60                                   
REMARK 500  6 ALA P 364      103.20    -50.23                                   
REMARK 500  6 PRO P 367       97.29    -66.03                                   
REMARK 500  6 ARG P 368      160.74    -39.49                                   
REMARK 500  6 PRO P 369      176.45    -49.21                                   
REMARK 500  6 ALA P 371      -62.19     68.05                                   
REMARK 500  6 LEU P 386      -68.33   -159.83                                   
REMARK 500  6 SER P 388       86.76     63.51                                   
REMARK 500  6 ALA P 389       75.18   -100.89                                   
REMARK 500  7 LEU S 465       -5.68     55.33                                   
REMARK 500  7 ALA S 470      109.45    -39.37                                   
REMARK 500  7 GLN S 472      170.29    -49.06                                   
REMARK 500  7 PRO S 473      -72.77    -66.88                                   
REMARK 500  7 SER S 488     -166.87    172.11                                   
REMARK 500  7 GLU S 493       44.09   -143.40                                   
REMARK 500  7 LYS S 500       90.12     62.02                                   
REMARK 500  7 GLU S 512     -144.65     33.57                                   
REMARK 500  7 ASP S 513     -164.71     61.88                                   
REMARK 500  7 SER S 514       97.63   -169.53                                   
REMARK 500  7 GLN P 362      155.65    -46.19                                   
REMARK 500  7 PRO P 367       96.83    -67.98                                   
REMARK 500  7 ARG P 368      158.72    -39.53                                   
REMARK 500  7 PRO P 369      177.77    -47.75                                   
REMARK 500  7 ALA P 371      -57.82     70.18                                   
REMARK 500  7 ALA P 389      -81.45     61.77                                   
REMARK 500  8 LYS S 458     -174.82   -176.02                                   
REMARK 500  8 VAL S 462      119.44   -160.49                                   
REMARK 500  8 GLU S 463      151.38    -48.86                                   
REMARK 500  8 LEU S 465       -4.62   -144.15                                   
REMARK 500  8 GLN S 472        4.01     94.09                                   
REMARK 500  8 GLU S 474      -30.41    163.96                                   
REMARK 500  8 SER S 488      170.55    166.18                                   
REMARK 500  8 ASN S 491     -166.12   -175.65                                   
REMARK 500  8 GLU S 493       49.50   -153.41                                   
REMARK 500  8 LYS S 500       79.61     69.59                                   
REMARK 500  8 VAL S 511       52.74   -152.38                                   
REMARK 500  8 ALA S 515       31.33    -97.74                                   
REMARK 500  8 GLN P 362      155.07    -47.35                                   
REMARK 500  8 ALA P 364      101.12    -49.95                                   
REMARK 500  8 PRO P 367       93.72    -49.35                                   
REMARK 500  8 ARG P 368      161.10    -39.83                                   
REMARK 500  8 PRO P 369      173.27    -49.20                                   
REMARK 500  8 ALA P 371      -60.10     69.07                                   
REMARK 500  9 SER S 460     -165.81    -78.09                                   
REMARK 500  9 VAL S 462      114.52   -160.46                                   
REMARK 500  9 LEU S 465       -5.67   -143.88                                   
REMARK 500  9 PRO S 473      -75.09    -57.89                                   
REMARK 500  9 GLU S 474      -36.34    -39.83                                   
REMARK 500  9 SER S 488      166.01    168.89                                   
REMARK 500  9 ASN S 491       35.61   -178.47                                   
REMARK 500  9 GLU S 492      -58.54     73.10                                   
REMARK 500  9 LYS S 500       97.34     53.67                                   
REMARK 500  9 VAL S 511      -54.45   -150.60                                   
REMARK 500  9 GLU S 512       20.26     39.55                                   
REMARK 500  9 ASP S 513     -158.48    -94.09                                   
REMARK 500  9 PRO P 361      102.03    -44.53                                   
REMARK 500  9 ALA P 364      101.31    -50.01                                   
REMARK 500  9 PRO P 367       94.77    -65.65                                   
REMARK 500  9 ARG P 368      159.51    -39.54                                   
REMARK 500  9 PRO P 369      170.76    -48.02                                   
REMARK 500  9 ALA P 371      -61.73     68.43                                   
REMARK 500  9 SER P 379      -89.54    -66.65                                   
REMARK 500  9 GLU P 380      -43.25   -167.86                                   
REMARK 500 10 SER S 460     -155.43    -85.23                                   
REMARK 500 10 VAL S 462      104.25   -160.15                                   
REMARK 500 10 SER S 488      164.74    166.80                                   
REMARK 500 10 ASN S 491       30.95    179.16                                   
REMARK 500 10 GLU S 492      -57.03     76.87                                   
REMARK 500 10 LYS S 500      104.77     48.20                                   
REMARK 500 10 VAL S 511       81.25   -156.68                                   
REMARK 500 10 GLU S 512       10.60    -63.33                                   
REMARK 500 10 ASP S 513      161.95     68.99                                   
REMARK 500 10 SER S 514      -40.50   -167.76                                   
REMARK 500 10 ALA S 515      157.71     61.09                                   
REMARK 500 10 GLN P 362      156.96    -46.04                                   
REMARK 500 10 PRO P 367       87.06    -68.40                                   
REMARK 500 10 ARG P 368      132.22    -39.79                                   
REMARK 500 10 PRO P 369      158.12    -24.01                                   
REMARK 500 10 SER P 370       29.76    -78.33                                   
REMARK 500 10 ALA P 371      -61.31     68.01                                   
REMARK 500 10 ALA P 387      -40.63   -175.18                                   
REMARK 500 10 SER P 388       35.59   -168.25                                   
REMARK 500 11 SER S 460     -166.88    -70.93                                   
REMARK 500 11 ALA S 470      107.63    -39.56                                   
REMARK 500 11 GLN S 472      163.68    -48.37                                   
REMARK 500 11 PRO S 473      -78.76    -58.76                                   
REMARK 500 11 SER S 488      164.39    168.35                                   
REMARK 500 11 ASN S 491       35.08   -177.59                                   
REMARK 500 11 GLU S 492      -58.15     72.19                                   
REMARK 500 11 LYS S 500       85.45     63.90                                   
REMARK 500 11 VAL S 511       46.97   -155.16                                   
REMARK 500 11 ALA S 515       31.00    -99.19                                   
REMARK 500 11 GLN P 362      155.22    -46.31                                   
REMARK 500 11 PRO P 367       88.93    -54.08                                   
REMARK 500 11 PRO P 369      169.40    -49.56                                   
REMARK 500 11 ALA P 371      -59.97     68.98                                   
REMARK 500 11 LEU P 386      -84.43   -107.94                                   
REMARK 500 11 ALA P 387      103.22     57.35                                   
REMARK 500 11 ALA P 389      179.40     59.03                                   
REMARK 500 12 LYS S 458     -163.77     42.56                                   
REMARK 500 12 VAL S 462      -15.63   -159.43                                   
REMARK 500 12 GLU S 463      142.67     59.42                                   
REMARK 500 12 PRO S 473      -80.25    -60.74                                   
REMARK 500 12 ILE S 483       66.42   -104.47                                   
REMARK 500 12 SER S 488      164.27    164.67                                   
REMARK 500 12 ASN S 491       35.31   -178.70                                   
REMARK 500 12 GLU S 492      -58.75     73.39                                   
REMARK 500 12 LYS S 500      -95.51     62.73                                   
REMARK 500 12 VAL S 511      -35.66   -151.23                                   
REMARK 500 12 GLU S 512       17.23     42.82                                   
REMARK 500 12 ASP S 513      157.74     54.15                                   
REMARK 500 12 SER S 514      -43.16   -159.71                                   
REMARK 500 12 GLN P 362      156.81    -46.68                                   
REMARK 500 12 PRO P 367       92.14    -68.93                                   
REMARK 500 12 ARG P 368      144.78    -39.66                                   
REMARK 500 12 PRO P 369      172.82    -51.74                                   
REMARK 500 12 ALA P 371      -62.83     68.18                                   
REMARK 500 12 LYS P 385       30.49    -95.44                                   
REMARK 500 12 LEU P 386       37.42   -172.74                                   
REMARK 500 12 SER P 388       35.53   -164.85                                   
REMARK 500 12 ALA P 389     -177.38    -61.17                                   
REMARK 500 13 SER S 488      170.40    168.26                                   
REMARK 500 13 ASN S 491     -167.52   -176.10                                   
REMARK 500 13 GLU S 493       49.79   -153.37                                   
REMARK 500 13 SER S 499     -143.71    -89.94                                   
REMARK 500 13 LYS S 500      -86.43    -30.98                                   
REMARK 500 13 VAL S 511       50.80   -156.24                                   
REMARK 500 13 ALA S 515       73.77   -117.39                                   
REMARK 500 13 LYS P 360      139.71     62.92                                   
REMARK 500 13 GLN P 362      154.96    -47.10                                   
REMARK 500 13 ALA P 364      101.94    -49.95                                   
REMARK 500 13 PRO P 367       96.01    -66.72                                   
REMARK 500 13 ARG P 368      159.48    -39.51                                   
REMARK 500 13 PRO P 369      174.96    -48.36                                   
REMARK 500 13 ALA P 371      -60.04     69.15                                   
REMARK 500 13 LEU P 386      -85.29   -100.60                                   
REMARK 500 13 SER P 388      -43.67   -160.71                                   
REMARK 500 13 ALA P 389      172.94     68.56                                   
REMARK 500 14 SER S 460     -176.50   -171.53                                   
REMARK 500 14 VAL S 462      117.00   -160.34                                   
REMARK 500 14 PRO S 473      -78.17    -60.38                                   
REMARK 500 14 SER S 488     -167.18    173.28                                   
REMARK 500 14 VAL S 490      -91.88    -89.09                                   
REMARK 500 14 ASN S 491     -163.61   -104.60                                   
REMARK 500 14 GLU S 493       47.18   -143.15                                   
REMARK 500 14 LYS S 500       80.35     68.36                                   
REMARK 500 14 VAL S 511       52.01   -148.24                                   
REMARK 500 14 ALA S 515      154.60     61.26                                   
REMARK 500 14 GLN P 362      154.24    -47.13                                   
REMARK 500 14 ALA P 364      102.65    -50.01                                   
REMARK 500 14 PRO P 367       96.34    -51.01                                   
REMARK 500 14 ARG P 368      161.56    -39.73                                   
REMARK 500 14 PRO P 369      175.37    -48.78                                   
REMARK 500 14 ALA P 371      -64.32     67.40                                   
REMARK 500 14 LEU P 386       34.74   -169.29                                   
REMARK 500 14 ALA P 387       88.41    -67.04                                   
REMARK 500 15 LYS S 458      106.75     62.63                                   
REMARK 500 15 VAL S 462      -12.55   -160.07                                   
REMARK 500 15 GLU S 463      144.47     59.03                                   
REMARK 500 15 LEU S 465       -4.48   -140.34                                   
REMARK 500 15 PRO S 473      -72.56    -62.87                                   
REMARK 500 15 ILE S 483       69.06   -103.38                                   
REMARK 500 15 SER S 488      169.77    164.34                                   
REMARK 500 15 ASN S 491     -167.87   -175.90                                   
REMARK 500 15 GLU S 493       42.90   -150.67                                   
REMARK 500 15 LYS S 500      100.94     51.38                                   
REMARK 500 15 GLU S 512       12.30    -61.07                                   
REMARK 500 15 ASP S 513      154.67     78.15                                   
REMARK 500 15 SER S 514      -47.00   -151.56                                   
REMARK 500 15 GLN P 362      154.47    -45.78                                   
REMARK 500 15 ALA P 364      102.64    -51.38                                   
REMARK 500 15 PRO P 367       86.64    -66.52                                   
REMARK 500 15 ARG P 368      135.69    -39.52                                   
REMARK 500 15 PRO P 369      158.47    -30.98                                   
REMARK 500 15 SER P 370       36.80    -76.65                                   
REMARK 500 15 ALA P 371      -61.74     65.67                                   
REMARK 500 15 LEU P 386      -80.94    -87.78                                   
REMARK 500 15 SER P 388       82.18     71.68                                   
REMARK 500 15 ALA P 389     -173.60     57.90                                   
REMARK 500 16 LYS S 457      106.09     58.65                                   
REMARK 500 16 PRO S 473      -70.87    -68.84                                   
REMARK 500 16 SER S 488      166.26    170.26                                   
REMARK 500 16 ASN S 491     -162.89   -175.62                                   
REMARK 500 16 GLU S 493       38.83   -151.52                                   
REMARK 500 16 LYS S 500       88.53     63.10                                   
REMARK 500 16 VAL S 511       53.39   -144.88                                   
REMARK 500 16 LYS P 360      138.01     62.94                                   
REMARK 500 16 GLN P 362      156.99    -46.05                                   
REMARK 500 16 ALA P 364      108.65    -53.15                                   
REMARK 500 16 PRO P 367       85.06    -66.75                                   
REMARK 500 16 ARG P 368      130.82    -39.85                                   
REMARK 500 16 PRO P 369      155.75    -25.80                                   
REMARK 500 16 SER P 370       34.41    -78.67                                   
REMARK 500 16 ALA P 371      -63.11     65.90                                   
REMARK 500 16 ALA P 387      -22.98     97.00                                   
REMARK 500 17 LYS S 457      -75.90    -77.64                                   
REMARK 500 17 SER S 488      170.54    166.44                                   
REMARK 500 17 ASN S 491       36.22   -175.76                                   
REMARK 500 17 GLU S 492      -59.05     72.14                                   
REMARK 500 17 LYS S 500      102.57     51.11                                   
REMARK 500 17 GLU S 512      -99.46     42.21                                   
REMARK 500 17 ASP S 513      149.38   -173.91                                   
REMARK 500 17 SER S 514      -67.87   -154.89                                   
REMARK 500 17 ALA S 515      -77.60     65.15                                   
REMARK 500 17 GLN P 362      156.47    -46.50                                   
REMARK 500 17 ALA P 364      103.83    -50.03                                   
REMARK 500 17 PRO P 367       94.89    -64.78                                   
REMARK 500 17 ARG P 368      160.71    -39.37                                   
REMARK 500 17 PRO P 369      172.15    -48.96                                   
REMARK 500 17 ALA P 371      -63.94     67.52                                   
REMARK 500 17 LYS P 385       30.69    -95.03                                   
REMARK 500 17 LEU P 386       36.77   -174.94                                   
REMARK 500 17 ALA P 389      128.68     64.06                                   
REMARK 500 18 LEU S 456       40.35   -177.59                                   
REMARK 500 18 LYS S 458     -166.84    -69.50                                   
REMARK 500 18 SER S 460     -158.51    179.07                                   
REMARK 500 18 VAL S 462      118.79   -160.19                                   
REMARK 500 18 PRO S 473      -76.90    -61.70                                   
REMARK 500 18 ILE S 483       74.11   -109.48                                   
REMARK 500 18 SER S 488      166.89    165.97                                   
REMARK 500 18 ASN S 491     -167.47   -175.07                                   
REMARK 500 18 GLU S 493       48.13   -153.06                                   
REMARK 500 18 LYS S 500       90.30     61.46                                   
REMARK 500 18 VAL S 511       82.10   -156.55                                   
REMARK 500 18 GLU S 512       11.00    -62.48                                   
REMARK 500 18 ASP S 513      134.81     69.47                                   
REMARK 500 18 SER S 514       39.34    171.48                                   
REMARK 500 18 GLN P 362      155.32    -46.11                                   
REMARK 500 18 ALA P 364      101.98    -51.96                                   
REMARK 500 18 PRO P 367       95.51    -67.72                                   
REMARK 500 18 ARG P 368      158.12    -39.44                                   
REMARK 500 18 PRO P 369      175.45    -47.74                                   
REMARK 500 18 ALA P 371      -57.14     69.90                                   
REMARK 500 18 ARG P 377       52.69   -155.64                                   
REMARK 500 18 SER P 379      -81.33    -62.13                                   
REMARK 500 18 GLU P 380      -42.47   -171.48                                   
REMARK 500 18 ALA P 387       94.56    -64.87                                   
REMARK 500 19 SER S 460     -155.13    -77.21                                   
REMARK 500 19 VAL S 462      118.45   -160.18                                   
REMARK 500 19 ILE S 483       74.33   -105.71                                   
REMARK 500 19 SER S 488      166.39    168.72                                   
REMARK 500 19 ASN S 491       35.35   -179.82                                   
REMARK 500 19 GLU S 492      -58.71     73.60                                   
REMARK 500 19 SER S 499     -148.86    -93.93                                   
REMARK 500 19 LYS S 500       98.45    -55.14                                   
REMARK 500 19 VAL S 511       82.04   -156.84                                   
REMARK 500 19 GLU S 512        8.37    -61.96                                   
REMARK 500 19 ASP S 513      160.05     67.91                                   
REMARK 500 19 SER S 514      -43.87   -153.83                                   
REMARK 500 19 GLN P 362      154.77    -46.97                                   
REMARK 500 19 ALA P 364      102.80    -50.10                                   
REMARK 500 19 PRO P 367       95.27    -65.60                                   
REMARK 500 19 ARG P 368      160.04    -39.40                                   
REMARK 500 19 PRO P 369      171.79    -49.03                                   
REMARK 500 19 ALA P 371      -64.82     66.60                                   
REMARK 500 19 LYS P 385       34.00    -97.73                                   
REMARK 500 19 LEU P 386      -85.87   -169.20                                   
REMARK 500 19 ALA P 387       27.26     48.18                                   
REMARK 500 19 SER P 388      -54.14    179.07                                   
REMARK 500 19 ALA P 389       95.63     63.01                                   
REMARK 500 20 ALA S 470      109.31    -39.37                                   
REMARK 500 20 PRO S 473      -78.85    -59.87                                   
REMARK 500 20 SER S 488      164.65    174.00                                   
REMARK 500 20 VAL S 490      -67.91   -103.65                                   
REMARK 500 20 GLU S 493       45.50   -141.50                                   
REMARK 500 20 SER S 499       59.20    -96.61                                   
REMARK 500 20 LYS S 500       93.37     36.27                                   
REMARK 500 20 VAL S 511       45.48   -155.84                                   
REMARK 500 20 GLN P 362      156.47    -46.75                                   
REMARK 500 20 ALA P 364      102.48    -49.93                                   
REMARK 500 20 PRO P 367       95.88    -66.79                                   
REMARK 500 20 ARG P 368      159.15    -39.46                                   
REMARK 500 20 PRO P 369      175.65    -46.29                                   
REMARK 500 20 ALA P 371      -59.69     69.03                                   
REMARK 500 20 ALA P 387      -45.74   -169.57                                   
REMARK 500 20 SER P 388       21.27   -147.79                                   
REMARK 500 20 ALA P 389      -81.20     61.89                                   
REMARK 500 21 SER S 460     -168.34    -72.27                                   
REMARK 500 21 SER S 488     -161.97    171.80                                   
REMARK 500 21 ASN S 491      -51.16   -159.28                                   
REMARK 500 21 GLU S 492      -38.50    159.99                                   
REMARK 500 21 SER S 499     -148.79    -96.47                                   
REMARK 500 21 LYS S 500       98.79    -54.05                                   
REMARK 500 21 LYS S 508        8.02     51.22                                   
REMARK 500 21 VAL S 511       50.52   -149.25                                   
REMARK 500 21 ALA S 515       91.97   -175.41                                   
REMARK 500 21 LYS P 360       86.80   -169.46                                   
REMARK 500 21 PRO P 361      101.39    -44.38                                   
REMARK 500 21 GLN P 362      159.41    -47.46                                   
REMARK 500 21 ALA P 364      108.93    -50.48                                   
REMARK 500 21 PRO P 367       88.34    -66.96                                   
REMARK 500 21 ARG P 368      141.42    -39.83                                   
REMARK 500 21 PRO P 369      175.20    -49.02                                   
REMARK 500 21 ALA P 371      -61.68     68.06                                   
REMARK 500 21 SER P 388       35.92     73.25                                   
REMARK 500 21 ALA P 389      177.07     56.73                                   
REMARK 500 22 LYS S 458     -168.27     44.76                                   
REMARK 500 22 VAL S 462      117.91   -160.60                                   
REMARK 500 22 LEU S 465      -31.71   -138.56                                   
REMARK 500 22 SER S 488     -169.52    177.60                                   
REMARK 500 22 VAL S 490      -92.07    -96.82                                   
REMARK 500 22 GLU S 493       46.80   -144.96                                   
REMARK 500 22 LYS S 500      -94.35     65.91                                   
REMARK 500 22 LYS S 508        6.55     52.64                                   
REMARK 500 22 VAL S 511       56.62   -155.03                                   
REMARK 500 22 ASP S 513     -164.07    -68.06                                   
REMARK 500 22 SER S 514       87.79   -166.47                                   
REMARK 500 22 LYS P 360      140.95   -170.11                                   
REMARK 500 22 GLN P 362      157.46    -45.93                                   
REMARK 500 22 ALA P 364      102.45    -49.83                                   
REMARK 500 22 PRO P 367       91.34    -65.11                                   
REMARK 500 22 ARG P 368      159.79    -39.35                                   
REMARK 500 22 PRO P 369      176.00    -48.38                                   
REMARK 500 22 ALA P 371      -61.08     69.08                                   
REMARK 500 22 ALA P 387      -56.60   -167.83                                   
REMARK 500 22 SER P 388       42.34   -152.63                                   
REMARK 500 22 ALA P 389      -70.93     67.86                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
DBREF  1K4U S  455   516  UNP    P19878   NCF2_HUMAN     455    516             
DBREF  1K4U P  359   390  UNP    P14598   NCF1_HUMAN     359    390             
SEQADV 1K4U SER S  499  UNP  P19878    CYS   499 ENGINEERED                     
SEQADV 1K4U SER S  514  UNP  P19878    CYS   514 ENGINEERED                     
SEQRES   1 S   62  GLN LEU LYS LYS GLY SER GLN VAL GLU ALA LEU PHE SER          
SEQRES   2 S   62  TYR GLU ALA THR GLN PRO GLU ASP LEU GLU PHE GLN GLU          
SEQRES   3 S   62  GLY ASP ILE ILE LEU VAL LEU SER LYS VAL ASN GLU GLU          
SEQRES   4 S   62  TRP LEU GLU GLY GLU SER LYS GLY LYS VAL GLY ILE PHE          
SEQRES   5 S   62  PRO LYS VAL PHE VAL GLU ASP SER ALA THR                      
SEQRES   1 P   32  SER LYS PRO GLN PRO ALA VAL PRO PRO ARG PRO SER ALA          
SEQRES   2 P   32  ASP LEU ILE LEU ASN ARG CYS SER GLU SER THR LYS ARG          
SEQRES   3 P   32  LYS LEU ALA SER ALA VAL                                      
HELIX    1   1 PRO S  507  VAL S  511  5                                   5    
HELIX    2   2 SER P  370  ARG P  377  1                                   8    
HELIX    3   3 SER P  379  LEU P  386  1                                   8    
SHEET    1   A 4 SER S 460  GLU S 463  0                                        
SHEET    2   A 4 ILE S 483  LYS S 489 -1  O  VAL S 486   N  SER S 460           
SHEET    3   A 4 LEU S 495  GLU S 498 -1  O  GLU S 496   N  SER S 488           
SHEET    4   A 4 VAL S 503  PHE S 506 -1  O  GLY S 504   N  GLY S 497           
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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