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Database: PDB
Entry: 2MJD
LinkDB: 2MJD
Original site: 2MJD 
HEADER    METAL BINDING PROTEIN                   07-JAN-14   2MJD              
TITLE     OXIDIZED YEAST ADRENODOXIN HOMOLOG 1                                  
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: ADRENODOXIN HOMOLOG, MITOCHONDRIAL;                        
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 58-172;                                       
COMPND   5 SYNONYM: MITOCHONDRIAL FERREDOXIN;                                   
COMPND   6 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;                       
SOURCE   3 ORGANISM_COMMON: BAKER'S YEAST;                                      
SOURCE   4 ORGANISM_TAXID: 559292;                                              
SOURCE   5 STRAIN: ATCC 204508 / S288C;                                         
SOURCE   6 GENE: YAH1, YPL252C;                                                 
SOURCE   7 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   8 EXPRESSION_SYSTEM_TAXID: 562;                                        
SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
SOURCE  10 EXPRESSION_SYSTEM_PLASMID: PETDUET-1                                 
KEYWDS    FERREDOXIN, IRON SULFUR ASSEMBLY, PARAMAGNETIC PROTEIN, 2FE2S         
KEYWDS   2 CLUSTER, METAL BINDING PROTEIN                                       
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
MDLTYP    MINIMIZED AVERAGE                                                     
AUTHOR    A.GALLO,L.BANCI                                                       
REVDAT   1   19-NOV-14 2MJD    0                                                
JRNL        AUTH   H.WEBERT,S.A.FREIBERT,A.GALLO,T.HEIDENREICH,U.LINNE,         
JRNL        AUTH 2 S.AMLACHER,E.HURT,U.MUHLENHOFF,L.BANCI,R.LILL                
JRNL        TITL   FUNCTIONAL RECONSTITUTION OF MITOCHONDRIAL FE/S CLUSTER      
JRNL        TITL 2 SYNTHESIS ON ISU1 REVEALS THE INVOLVEMENT OF FERREDOXIN.     
JRNL        REF    NAT COMMUN                    V.   5  5013 2014              
JRNL        REFN                   ESSN 2041-1723                               
JRNL        PMID   25358379                                                     
JRNL        DOI    10.1038/NCOMMS6013                                           
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : AMBER AMBER 11                                       
REMARK   3   AUTHORS     : CASE, DARDEN, CHEATHAM, III, SIMMERLING, WANG,       
REMARK   3                 DUKE, LUO, ... AND KOLLMAN                           
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MJD COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 08-JAN-14.                  
REMARK 100 THE RCSB ID CODE IS RCSB103683.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 7.0                                
REMARK 210  IONIC STRENGTH                 : 50                                 
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1 MM [U-100% 15N] PROTEIN, 50 MM   
REMARK 210                                   POTASSIUM PHOSPHATE, 90% H2O/10%   
REMARK 210                                   D2O; 1 MM [U-13C; U-15N] PROTEIN,  
REMARK 210                                   50 MM POTASSIUM PHOSPHATE, 90%     
REMARK 210                                   H2O/10% D2O                        
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 2D 1H-15N HSQC; 2D 1H-13C HSQC;    
REMARK 210                                   3D CBCA(CO)NH; 3D HNCACB; 3D       
REMARK 210                                   HBHA(CO)NH; 3D HNCO; 3D HN(CO)CA;  
REMARK 210                                   3D HCCH-TOCSY; 3D 1H-15N NOESY;    
REMARK 210                                   3D 1H-13C NOESY; 2D 1H-1H NOESY    
REMARK 210  SPECTROMETER FIELD STRENGTH    : 900 MHZ; 500 MHZ; 700 MHZ          
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : TOPSPIN TOPSPIN-2.1, CARA CARA     
REMARK 210                                   2, CYANA CYANA-2.1                 
REMARK 210   METHOD USED                   : MOLECULAR DYNAMICS                 
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 200                                
REMARK 210 CONFORMERS, NUMBER SUBMITTED    : 20                                 
REMARK 210 CONFORMERS, SELECTION CRITERIA  : TARGET FUNCTION                    
REMARK 210                                                                      
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1                   
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 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: MONOMERIC                         
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A                                     
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 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES                                       
REMARK 500                                                                      
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES              
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE               
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                 
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)              
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999                        
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996                     
REMARK 500                                                                      
REMARK 500  M RES CSSEQI ATM1   ATM2   ATM3                                     
REMARK 500  2 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   4.1 DEGREES          
REMARK 500  3 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   5.9 DEGREES          
REMARK 500  3 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   4.2 DEGREES          
REMARK 500  4 TYR A  59   CB  -  CA  -  C   ANGL. DEV. = -12.3 DEGREES          
REMARK 500  4 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500  4 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  5 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  5 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500  6 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  7 CYS A  47   CA  -  CB  -  SG  ANGL. DEV. =   7.4 DEGREES          
REMARK 500  7 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500  7 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500  8 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  9 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   4.0 DEGREES          
REMARK 500  9 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500  9 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500 10 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   5.1 DEGREES          
REMARK 500 10 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 10 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   4.3 DEGREES          
REMARK 500 11 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.9 DEGREES          
REMARK 500 12 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   4.3 DEGREES          
REMARK 500 12 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   4.6 DEGREES          
REMARK 500 13 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
REMARK 500 13 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.4 DEGREES          
REMARK 500 13 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   4.0 DEGREES          
REMARK 500 15 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   3.5 DEGREES          
REMARK 500 16 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500 17 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.7 DEGREES          
REMARK 500 17 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.8 DEGREES          
REMARK 500 18 ARG A  99   NE  -  CZ  -  NH1 ANGL. DEV. =   3.2 DEGREES          
REMARK 500 18 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.9 DEGREES          
REMARK 500 20 ARG A  84   NE  -  CZ  -  NH1 ANGL. DEV. =   3.9 DEGREES          
REMARK 500 20 ARG A 107   NE  -  CZ  -  NH1 ANGL. DEV. =   3.3 DEGREES          
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  1 GLU A   3      147.85     52.81                                   
REMARK 500  1 CYS A  45     -136.09   -133.82                                   
REMARK 500  1 SER A  48     -157.66   -149.07                                   
REMARK 500  1 CYS A  50      -45.82     57.46                                   
REMARK 500  1 ASP A  96       83.24    -53.33                                   
REMARK 500  1 ILE A  98      151.39    -47.92                                   
REMARK 500  1 THR A 106      119.65   -163.44                                   
REMARK 500  2 CYS A  41     -137.48   -157.07                                   
REMARK 500  2 CYS A  47      154.68     60.59                                   
REMARK 500  2 ASP A  96       91.28    -62.20                                   
REMARK 500  3 GLU A   3      -28.52   -148.46                                   
REMARK 500  3 CYS A  47     -179.82     62.79                                   
REMARK 500  3 SER A  48     -158.61   -149.90                                   
REMARK 500  3 THR A  49        5.82    -64.90                                   
REMARK 500  3 CYS A  50      -53.88     61.86                                   
REMARK 500  3 LEU A  73      -60.34    -91.42                                   
REMARK 500  3 GLN A  88       33.74    -83.53                                   
REMARK 500  3 ASP A  96       86.21    -67.97                                   
REMARK 500  3 ARG A 107      167.08    -44.87                                   
REMARK 500  4 CYS A  41     -154.99   -170.03                                   
REMARK 500  4 CYS A  47      163.42     59.89                                   
REMARK 500  4 CYS A  50       72.83     44.08                                   
REMARK 500  4 ASP A  96       86.97    -69.33                                   
REMARK 500  4 LEU A 102       75.57   -117.89                                   
REMARK 500  4 ASN A 111       55.01   -140.20                                   
REMARK 500  5 GLU A   2       28.44   -149.73                                   
REMARK 500  5 CYS A  47      142.97     57.57                                   
REMARK 500  5 ASP A  96       80.42    -64.20                                   
REMARK 500  6 CYS A  41     -153.43     55.84                                   
REMARK 500  6 CYS A  45     -176.62     56.21                                   
REMARK 500  6 CYS A  47      171.36     66.56                                   
REMARK 500  6 SER A  48     -169.50    -55.14                                   
REMARK 500  6 CYS A  50        8.07     56.15                                   
REMARK 500  6 SER A  92     -174.71   -172.12                                   
REMARK 500  6 ASP A  96       84.97    -62.36                                   
REMARK 500  6 ASN A 108      -35.40   -166.25                                   
REMARK 500  6 VAL A 109      138.70     65.64                                   
REMARK 500  7 GLU A   2      -16.12   -159.95                                   
REMARK 500  7 ASP A  36       97.48    -69.81                                   
REMARK 500  7 SER A  44       20.99   -151.18                                   
REMARK 500  7 SER A  48     -160.08   -161.50                                   
REMARK 500  7 CYS A  50      -44.53     56.02                                   
REMARK 500  7 ASP A  74      -13.97    -47.96                                   
REMARK 500  7 CYS A  87      -50.43     54.66                                   
REMARK 500  7 ASP A  96       86.35    -63.27                                   
REMARK 500  7 MET A 105       79.72   -105.62                                   
REMARK 500  7 THR A 106      -65.51     58.51                                   
REMARK 500  8 CYS A  41     -137.55   -165.78                                   
REMARK 500  8 CYS A  45     -131.88     53.52                                   
REMARK 500  8 CYS A  47      164.43     59.25                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS     140 RAMACHANDRAN OUTLIERS.                        
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: NON-CIS, NON-TRANS                                         
REMARK 500                                                                      
REMARK 500 THE FOLLOWING PEPTIDE BONDS DEVIATE SIGNIFICANTLY FROM BOTH          
REMARK 500 CIS AND TRANS CONFORMATION.  CIS BONDS, IF ANY, ARE LISTED           
REMARK 500 ON CISPEP RECORDS.  TRANS IS DEFINED AS 180 +/- 30 AND               
REMARK 500 CIS IS DEFINED AS 0 +/- 30 DEGREES.                                  
REMARK 500                                 MODEL     OMEGA                      
REMARK 500 ALA A   46     CYS A   47          1       144.28                    
REMARK 500 CYS A   47     SER A   48          1      -123.20                    
REMARK 500 GLY A   86     CYS A   87          1      -139.32                    
REMARK 500 CYS A   50     HIS A   51          3      -102.93                    
REMARK 500 ALA A  101     LEU A  102          3      -143.51                    
REMARK 500 TYR A   59     ASP A   60          4      -149.77                    
REMARK 500 GLY A   86     CYS A   87          7       135.92                    
REMARK 500 LYS A   16     THR A   17         11      -149.15                    
REMARK 500 THR A   17     TYR A   18         11      -149.67                    
REMARK 500 CYS A   47     SER A   48         11      -147.46                    
REMARK 500 SER A   44     CYS A   45         12      -146.99                    
REMARK 500 ARG A   84     LEU A   85         12       -72.36                    
REMARK 500 MET A  105     THR A  106         12      -146.11                    
REMARK 500 LEU A  102     PRO A  103         13      -146.79                    
REMARK 500 LEU A   85     GLY A   86         15      -124.41                    
REMARK 500 CYS A   87     GLN A   88         15      -148.45                    
REMARK 500 TYR A   58     TYR A   59         16       149.26                    
REMARK 500 ARG A   84     LEU A   85         16      -143.61                    
REMARK 500 CYS A   50     HIS A   51         17      -137.39                    
REMARK 500 GLU A   38     GLY A   39         18      -146.68                    
REMARK 500 CYS A   50     HIS A   51         18      -146.38                    
REMARK 500 GLY A   86     CYS A   87         20      -149.04                    
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: PLANAR GROUPS                                              
REMARK 500                                                                      
REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL                 
REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE                    
REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN                    
REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS                        
REMARK 500 AN RMSD GREATER THAN THIS VALUE                                      
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        RMS     TYPE                                    
REMARK 500  1 ARG A  84         0.10    SIDE CHAIN                              
REMARK 500  3 TYR A  77         0.06    SIDE CHAIN                              
REMARK 500  3 ARG A  84         0.12    SIDE CHAIN                              
REMARK 500  6 TYR A  59         0.07    SIDE CHAIN                              
REMARK 500  6 ARG A 107         0.08    SIDE CHAIN                              
REMARK 500  7 TYR A  59         0.09    SIDE CHAIN                              
REMARK 500  7 ARG A  84         0.09    SIDE CHAIN                              
REMARK 500  8 ARG A  84         0.19    SIDE CHAIN                              
REMARK 500 11 TYR A  59         0.07    SIDE CHAIN                              
REMARK 500 11 ARG A  84         0.11    SIDE CHAIN                              
REMARK 500 17 ARG A  84         0.10    SIDE CHAIN                              
REMARK 500 19 ARG A  99         0.11    SIDE CHAIN                              
REMARK 500 20 TYR A  59         0.08    SIDE CHAIN                              
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: CHIRAL CENTERS                                             
REMARK 500                                                                      
REMARK 500 UNEXPECTED CONFIGURATION OF THE FOLLOWING CHIRAL                     
REMARK 500 CENTER(S) USING IMPROPER CA--C--CB--N CHIRALITY                      
REMARK 500 FOR AMINO ACIDS AND C1'--O4'--N1(N9)--C2' FOR                        
REMARK 500 NUCLEIC ACIDS OR EQUIVALENT ANGLE                                    
REMARK 500 M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN                            
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE                   
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,6X,F5.1,6X,A1,10X,A1,3X,A16)       
REMARK 500                                                                      
REMARK 500  M RES CSSEQI    IMPROPER   EXPECTED   FOUND DETAILS                 
REMARK 500  1 GLU A   3        22.8      L          L   OUTSIDE RANGE           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 620                                                                      
REMARK 620 METAL COORDINATION                                                   
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):                             
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1 FES A 201  FE2                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  87   SG                                                     
REMARK 620 2 FES A 201   S1  116.1                                              
REMARK 620 3 FES A 201   S2  103.7 111.0                                        
REMARK 620 4 CYS A  50   SG  105.2 111.3 108.9                                  
REMARK 620 N                    1     2     3                                   
REMARK 620                                                                      
REMARK 620 COORDINATION ANGLES FOR:  M RES CSSEQI METAL                         
REMARK 620                           1 FES A 201  FE1                           
REMARK 620 N RES CSSEQI ATOM                                                    
REMARK 620 1 CYS A  47   SG                                                     
REMARK 620 2 FES A 201   S1  110.4                                              
REMARK 620 3 FES A 201   S2  122.4 111.5                                        
REMARK 620 4 CYS A  41   SG   99.4 112.5  99.1                                  
REMARK 620 N                    1     2     3                                   
REMARK 800                                                                      
REMARK 800 SITE                                                                 
REMARK 800 SITE_IDENTIFIER: AC1                                                 
REMARK 800 EVIDENCE_CODE: SOFTWARE                                              
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE FES A 201                 
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2MJE   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 19717   RELATED DB: BMRB                                 
DBREF  2MJD A    1   115  UNP    Q12184   ADRX_YEAST      58    172             
SEQRES   1 A  115  GLY GLU GLU LEU LYS ILE THR PHE ILE LEU LYS ASP GLY          
SEQRES   2 A  115  SER GLN LYS THR TYR GLU VAL CYS GLU GLY GLU THR ILE          
SEQRES   3 A  115  LEU ASP ILE ALA GLN GLY HIS ASN LEU ASP MET GLU GLY          
SEQRES   4 A  115  ALA CYS GLY GLY SER CYS ALA CYS SER THR CYS HIS VAL          
SEQRES   5 A  115  ILE VAL ASP PRO ASP TYR TYR ASP ALA LEU PRO GLU PRO          
SEQRES   6 A  115  GLU ASP ASP GLU ASN ASP MET LEU ASP LEU ALA TYR GLY          
SEQRES   7 A  115  LEU THR GLU THR SER ARG LEU GLY CYS GLN ILE LYS MET          
SEQRES   8 A  115  SER LYS ASP ILE ASP GLY ILE ARG VAL ALA LEU PRO GLN          
SEQRES   9 A  115  MET THR ARG ASN VAL ASN ASN ASN ASP PHE SER                  
HET    FES  A 201       4                                                       
HETNAM     FES FE2/S2 (INORGANIC) CLUSTER                                       
FORMUL   2  FES    FE2 S2                                                       
HELIX    1   1 THR A   25  ASN A   34  1                                  10    
HELIX    2   2 ASN A   70  LEU A   75  1                                   6    
SHEET    1   A 5 GLN A  15  VAL A  20  0                                        
SHEET    2   A 5 LEU A   4  ILE A   9 -1  N  PHE A   8   O  LYS A  16           
SHEET    3   A 5 ARG A  99  ALA A 101  1  O  VAL A 100   N  THR A   7           
SHEET    4   A 5 HIS A  51  VAL A  54 -1  N  ILE A  53   O  ALA A 101           
SHEET    5   A 5 SER A  83  LEU A  85 -1  O  ARG A  84   N  VAL A  52           
LINK         SG  CYS A  87                FE2  FES A 201     1555   1555  2.28  
LINK         SG  CYS A  47                FE1  FES A 201     1555   1555  2.28  
LINK         SG  CYS A  50                FE2  FES A 201     1555   1555  2.29  
LINK         SG  CYS A  41                FE1  FES A 201     1555   1555  2.29  
SITE     1 AC1  6 CYS A  41  CYS A  47  SER A  48  CYS A  50                    
SITE     2 AC1  6 MET A  72  CYS A  87                                          
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                                                                             
DBGET integrated database retrieval system