Tree Display

AceDB Schema

XML Display

Feedback

LongText Report for: 4QDT-pdb

Name Class
4QDT-pdb
HEADER    TRANSFERASE                             14-MAY-14   4QDT              
TITLE     CRYSTAL STRUCTURE OF ANTIGEN 85C CO-CRYSTALLIZED WITH IODOACETAMIDE   
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: DIACYLGLYCEROL ACYLTRANSFERASE/MYCOLYLTRANSFERASE AG85C;   
COMPND   3 CHAIN: A;                                                            
COMPND   4 FRAGMENT: UNP RESIDUES 46-340;                                       
COMPND   5 SYNONYM: DGAT, ACYL-COA:DIACYLGLYCEROL ACYLTRANSFERASE, ANTIGEN 85   
COMPND   6 COMPLEX C, 85C, AG85C, FIBRONECTIN-BINDING PROTEIN C, FBPS C;        
COMPND   7 EC: 2.3.1.122, 2.3.1.20;                                             
COMPND   8 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS;                     
SOURCE   3 ORGANISM_TAXID: 83332;                                               
SOURCE   4 STRAIN: H37RV;                                                       
SOURCE   5 GENE: FBPC, MPT45, MTCI5.03C, RV0129C;                               
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562                                         
KEYWDS    MYCOLYLTRANSFERASE, DIACYLGLYCEROL ACYLTRANSFERASE, TRANSFERASE       
EXPDTA    X-RAY DIFFRACTION                                                     
AUTHOR    L.FAVROT,D.H.LAJINESS,D.R.RONNING                                     
REVDAT   1   09-JUL-14 4QDT    0                                                
JRNL        AUTH   L.FAVROT,D.H.LAJINESS,D.R.RONNING                            
JRNL        TITL   INACTIVATION OF THE MYCOBACTERIUM TUBERCULOSIS ANTIGEN 85    
JRNL        TITL 2 COMPLEX BY COVALENT, ALLOSTERIC INHIBITORS.                  
JRNL        REF    J.BIOL.CHEM.                               2014              
JRNL        REFN                   ESSN 1083-351X                               
REMARK   2                                                                      
REMARK   2 RESOLUTION.    1.50 ANGSTROMS.                                       
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE: 1.9_1692)                     
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VINCENT CHEN,IAN            
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-                     
REMARK   3               : KUNSTLEVE,LI-WEI HUNG,ROBERT IMMORMINO,              
REMARK   3               : TOM IOERGER,AIRLIE MCCOY,ERIK MCKEE,NIGEL            
REMARK   3               : MORIARTY,REETAL PAI,RANDY READ,JANE                  
REMARK   3               : RICHARDSON,DAVID RICHARDSON,TOD ROMO,JIM             
REMARK   3               : SACCHETTINI,NICHOLAS SAUTER,JACOB SMITH,             
REMARK   3               : LAURENT STORONI,TOM TERWILLIGER,PETER                
REMARK   3               : ZWART                                                
REMARK   3                                                                      
REMARK   3    REFINEMENT TARGET : ML                                            
REMARK   3                                                                      
REMARK   3  DATA USED IN REFINEMENT.                                            
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 1.50                           
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 31.07                          
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 1.350                          
REMARK   3   COMPLETENESS FOR RANGE        (%) : 99.6                           
REMARK   3   NUMBER OF REFLECTIONS             : 51343                          
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT.                                     
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.148                           
REMARK   3   R VALUE            (WORKING SET) : 0.146                           
REMARK   3   FREE R VALUE                     : 0.175                           
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 3.890                           
REMARK   3   FREE R VALUE TEST SET COUNT      : 1999                            
REMARK   3                                                                      
REMARK   3  FIT TO DATA USED IN REFINEMENT (IN BINS).                           
REMARK   3   BIN  RESOLUTION RANGE  COMPL.    NWORK NFREE   RWORK  RFREE        
REMARK   3     1 31.0763 -  3.6078    0.99     3715   150  0.1479 0.1706        
REMARK   3     2  3.6078 -  2.8642    1.00     3608   147  0.1681 0.1877        
REMARK   3     3  2.8642 -  2.5023    1.00     3581   144  0.1631 0.1899        
REMARK   3     4  2.5023 -  2.2736    1.00     3540   143  0.1531 0.1778        
REMARK   3     5  2.2736 -  2.1107    1.00     3544   144  0.1447 0.1798        
REMARK   3     6  2.1107 -  1.9863    1.00     3527   143  0.1434 0.1740        
REMARK   3     7  1.9863 -  1.8868    1.00     3501   142  0.1375 0.1983        
REMARK   3     8  1.8868 -  1.8047    1.00     3534   143  0.1320 0.1510        
REMARK   3     9  1.8047 -  1.7352    1.00     3492   142  0.1260 0.1441        
REMARK   3    10  1.7352 -  1.6754    1.00     3489   141  0.1125 0.1618        
REMARK   3    11  1.6754 -  1.6230    1.00     3497   142  0.1053 0.1619        
REMARK   3    12  1.6230 -  1.5766    1.00     3525   143  0.1051 0.1371        
REMARK   3    13  1.5766 -  1.5351    1.00     3490   142  0.1161 0.1553        
REMARK   3    14  1.5351 -  1.4976    0.95     3301   133  0.1422 0.1943        
REMARK   3                                                                      
REMARK   3  BULK SOLVENT MODELLING.                                             
REMARK   3   METHOD USED        : FLAT BULK SOLVENT MODEL                       
REMARK   3   SOLVENT RADIUS     : 1.11                                          
REMARK   3   SHRINKAGE RADIUS   : 0.90                                          
REMARK   3   K_SOL              : NULL                                          
REMARK   3   B_SOL              : NULL                                          
REMARK   3                                                                      
REMARK   3  ERROR ESTIMATES.                                                    
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.110            
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 14.890           
REMARK   3                                                                      
REMARK   3  B VALUES.                                                           
REMARK   3   FROM WILSON PLOT           (A**2) : NULL                           
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : NULL                           
REMARK   3   OVERALL ANISOTROPIC B VALUE.                                       
REMARK   3    B11 (A**2) : NULL                                                 
REMARK   3    B22 (A**2) : NULL                                                 
REMARK   3    B33 (A**2) : NULL                                                 
REMARK   3    B12 (A**2) : NULL                                                 
REMARK   3    B13 (A**2) : NULL                                                 
REMARK   3    B23 (A**2) : NULL                                                 
REMARK   3                                                                      
REMARK   3  TWINNING INFORMATION.                                               
REMARK   3   FRACTION: NULL                                                     
REMARK   3   OPERATOR: NULL                                                     
REMARK   3                                                                      
REMARK   3  DEVIATIONS FROM IDEAL VALUES.                                       
REMARK   3                 RMSD          COUNT                                  
REMARK   3   BOND      :  0.006           2231                                  
REMARK   3   ANGLE     :  1.075           3055                                  
REMARK   3   CHIRALITY :  0.048            305                                  
REMARK   3   PLANARITY :  0.007            407                                  
REMARK   3   DIHEDRAL  : 12.876            787                                  
REMARK   3                                                                      
REMARK   3  TLS DETAILS                                                         
REMARK   3   NUMBER OF TLS GROUPS  : NULL                                       
REMARK   3                                                                      
REMARK   3  NCS DETAILS                                                         
REMARK   3   NUMBER OF NCS GROUPS : NULL                                        
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 4QDT COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 16-MAY-14.                  
REMARK 100 THE RCSB ID CODE IS RCSB085928.                                      
REMARK 200                                                                      
REMARK 200 EXPERIMENTAL DETAILS                                                 
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION                  
REMARK 200  DATE OF DATA COLLECTION        : 08-DEC-13                          
REMARK 200  TEMPERATURE           (KELVIN) : 100                                
REMARK 200  PH                             : 5.5                                
REMARK 200  NUMBER OF CRYSTALS USED        : 1                                  
REMARK 200                                                                      
REMARK 200  SYNCHROTRON              (Y/N) : Y                                  
REMARK 200  RADIATION SOURCE               : APS                                
REMARK 200  BEAMLINE                       : 21-ID-F                            
REMARK 200  X-RAY GENERATOR MODEL          : NULL                               
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M                                  
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.97872                            
REMARK 200  MONOCHROMATOR                  : C(111)                             
REMARK 200  OPTICS                         : NULL                               
REMARK 200                                                                      
REMARK 200  DETECTOR TYPE                  : CCD                                
REMARK 200  DETECTOR MANUFACTURER          : MARMOSAIC 300 MM CCD               
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000                           
REMARK 200  DATA SCALING SOFTWARE          : HKL-2000                           
REMARK 200                                                                      
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : NULL                               
REMARK 200  RESOLUTION RANGE HIGH      (A) : 1.500                              
REMARK 200  RESOLUTION RANGE LOW       (A) : 50.000                             
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : -3.000                             
REMARK 200                                                                      
REMARK 200 OVERALL.                                                             
REMARK 200  COMPLETENESS FOR RANGE     (%) : 99.9                               
REMARK 200  DATA REDUNDANCY                : NULL                               
REMARK 200  R MERGE                    (I) : NULL                               
REMARK 200  R SYM                      (I) : NULL                               
REMARK 200   FOR THE DATA SET  : NULL                               
REMARK 200                                                                      
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.                                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 1.50                     
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 1.55                     
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0                              
REMARK 200  DATA REDUNDANCY IN SHELL       : 7.30                               
REMARK 200  R MERGE FOR SHELL          (I) : 0.37000                            
REMARK 200  R SYM FOR SHELL            (I) : 0.37000                            
REMARK 200   FOR SHELL         : 5.667                              
REMARK 200                                                                      
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH                              
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT        
REMARK 200 SOFTWARE USED: EPMR                                                  
REMARK 200 STARTING MODEL: NULL                                                 
REMARK 200                                                                      
REMARK 200 REMARK: NULL                                                         
REMARK 280                                                                      
REMARK 280 CRYSTAL                                                              
REMARK 280 SOLVENT CONTENT, VS   (%): 48.53                                     
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.39                     
REMARK 280                                                                      
REMARK 280 CRYSTALLIZATION CONDITIONS: 25% PEG 3350, 0.1M BIS-TRIS, 0.2M        
REMARK 280  LITHIUM SULFATE MONOHYDRATE, PH 5.5, VAPOR DIFFUSION, HANGING       
REMARK 280  DROP, TEMPERATURE 293K                                              
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY                                            
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21                       
REMARK 290                                                                      
REMARK 290      SYMOP   SYMMETRY                                                
REMARK 290     NNNMMM   OPERATOR                                                
REMARK 290       1555   X,Y,Z                                                   
REMARK 290       2555   -X+1/2,-Y,Z+1/2                                         
REMARK 290       3555   -X,Y+1/2,-Z+1/2                                         
REMARK 290       4555   X+1/2,-Y+1/2,-Z                                         
REMARK 290                                                                      
REMARK 290     WHERE NNN -> OPERATOR NUMBER                                     
REMARK 290           MMM -> TRANSLATION VECTOR                                  
REMARK 290                                                                      
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS                            
REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM             
REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY                
REMARK 290 RELATED MOLECULES.                                                   
REMARK 290   SMTRY1   1  1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   1  0.000000  1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   1  0.000000  0.000000  1.000000        0.00000            
REMARK 290   SMTRY1   2 -1.000000  0.000000  0.000000       30.38850            
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000            
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       38.13950            
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000            
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       34.01950            
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       38.13950            
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       30.38850            
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       34.01950            
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000            
REMARK 290                                                                      
REMARK 290 REMARK: NULL                                                         
REMARK 300                                                                      
REMARK 300 BIOMOLECULE: 1                                                       
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM                
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN                  
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON               
REMARK 300 BURIED SURFACE AREA.                                                 
REMARK 350                                                                      
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN           
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE                
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS          
REMARK 350 GIVEN BELOW.  BOTH NON-CRYSTALLOGRAPHIC AND                          
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.                               
REMARK 350                                                                      
REMARK 350 BIOMOLECULE: 1                                                       
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC                         
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC                  
REMARK 350 SOFTWARE USED: PISA                                                  
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN               
REMARK 465 IDENTIFIER; SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                
REMARK 465                                                                      
REMARK 465   M RES C SSSEQI                                                     
REMARK 465     ALA A     0                                                      
REMARK 465     PHE A     1                                                      
REMARK 465     SER A     2                                                      
REMARK 465     ARG A     3                                                      
REMARK 465     PRO A     4                                                      
REMARK 465     GLY A     5                                                      
REMARK 465     ASP A   216                                                      
REMARK 465     LEU A   217                                                      
REMARK 465     GLY A   218                                                      
REMARK 465     GLY A   219                                                      
REMARK 465     ALA A   283                                                      
REMARK 465     THR A   284                                                      
REMARK 465     PRO A   285                                                      
REMARK 465     PRO A   286                                                      
REMARK 465     ALA A   287                                                      
REMARK 465     ALA A   288                                                      
REMARK 465     PRO A   289                                                      
REMARK 465     ALA A   290                                                      
REMARK 465     ALA A   291                                                      
REMARK 465     PRO A   292                                                      
REMARK 465     ALA A   293                                                      
REMARK 465     ALA A   294                                                      
REMARK 465     HIS A   295                                                      
REMARK 465     HIS A   296                                                      
REMARK 465     HIS A   297                                                      
REMARK 465     HIS A   298                                                      
REMARK 465     HIS A   299                                                      
REMARK 465     HIS A   300                                                      
REMARK 500                                                                      
REMARK 500 GEOMETRY AND STEREOCHEMISTRY                                         
REMARK 500 SUBTOPIC: TORSION ANGLES                                             
REMARK 500                                                                      
REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS:            
REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;               
REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).                             
REMARK 500                                                                      
REMARK 500 STANDARD TABLE:                                                      
REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2)                    
REMARK 500                                                                      
REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI-           
REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400            
REMARK 500                                                                      
REMARK 500  M RES CSSEQI        PSI       PHI                                   
REMARK 500    PRO A   7       36.81    -77.31                                   
REMARK 500    PRO A  54       35.23    -93.01                                   
REMARK 500    SER A  74       19.79     57.32                                   
REMARK 500    ARG A 101      -63.47   -127.63                                   
REMARK 500    SER A 124     -124.44     49.16                                   
REMARK 500    ASN A 152       58.21   -141.44                                   
REMARK 500    SER A 169       78.89   -108.73                                   
REMARK 500    ARG A 248       17.89   -144.68                                   
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 4QDO   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4QDU   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4QDX   RELATED DB: PDB                                   
REMARK 900 RELATED ID: 4QDZ   RELATED DB: PDB                                   
DBREF  4QDT A    0   294  UNP    P9WQN9   A85C_MYCTU      46    340             
SEQADV 4QDT HIS A  295  UNP  P9WQN9              EXPRESSION TAG                 
SEQADV 4QDT HIS A  296  UNP  P9WQN9              EXPRESSION TAG                 
SEQADV 4QDT HIS A  297  UNP  P9WQN9              EXPRESSION TAG                 
SEQADV 4QDT HIS A  298  UNP  P9WQN9              EXPRESSION TAG                 
SEQADV 4QDT HIS A  299  UNP  P9WQN9              EXPRESSION TAG                 
SEQADV 4QDT HIS A  300  UNP  P9WQN9              EXPRESSION TAG                 
SEQRES   1 A  301  ALA PHE SER ARG PRO GLY LEU PRO VAL GLU TYR LEU GLN          
SEQRES   2 A  301  VAL PRO SER ALA SER MET GLY ARG ASP ILE LYS VAL GLN          
SEQRES   3 A  301  PHE GLN GLY GLY GLY PRO HIS ALA VAL TYR LEU LEU ASP          
SEQRES   4 A  301  GLY LEU ARG ALA GLN ASP ASP TYR ASN GLY TRP ASP ILE          
SEQRES   5 A  301  ASN THR PRO ALA PHE GLU GLU TYR TYR GLN SER GLY LEU          
SEQRES   6 A  301  SER VAL ILE MET PRO VAL GLY GLY GLN SER SER PHE TYR          
SEQRES   7 A  301  THR ASP TRP TYR GLN PRO SER GLN SER ASN GLY GLN ASN          
SEQRES   8 A  301  TYR THR TYR LYS TRP GLU THR PHE LEU THR ARG GLU MET          
SEQRES   9 A  301  PRO ALA TRP LEU GLN ALA ASN LYS GLY VAL SER PRO THR          
SEQRES  10 A  301  GLY ASN ALA ALA VAL GLY LEU SER MET SER GLY GLY SER          
SEQRES  11 A  301  ALA LEU ILE LEU ALA ALA TYR TYR PRO GLN GLN PHE PRO          
SEQRES  12 A  301  TYR ALA ALA SER LEU SER GLY PHE LEU ASN PRO SER GLU          
SEQRES  13 A  301  GLY TRP TRP PRO THR LEU ILE GLY LEU ALA MET ASN ASP          
SEQRES  14 A  301  SER GLY GLY TYR ASN ALA ASN SER MET TRP GLY PRO SER          
SEQRES  15 A  301  SER ASP PRO ALA TRP LYS ARG ASN ASP PRO MET VAL GLN          
SEQRES  16 A  301  ILE PRO ARG LEU VAL ALA ASN ASN THR ARG ILE TRP VAL          
SEQRES  17 A  301  TYR YCM GLY ASN GLY THR PRO SER ASP LEU GLY GLY ASP          
SEQRES  18 A  301  ASN ILE PRO ALA LYS PHE LEU GLU GLY LEU THR LEU ARG          
SEQRES  19 A  301  THR ASN GLN THR PHE ARG ASP THR TYR ALA ALA ASP GLY          
SEQRES  20 A  301  GLY ARG ASN GLY VAL PHE ASN PHE PRO PRO ASN GLY THR          
SEQRES  21 A  301  HIS SER TRP PRO TYR TRP ASN GLU GLN LEU VAL ALA MET          
SEQRES  22 A  301  LYS ALA ASP ILE GLN HIS VAL LEU ASN GLY ALA THR PRO          
SEQRES  23 A  301  PRO ALA ALA PRO ALA ALA PRO ALA ALA HIS HIS HIS HIS          
SEQRES  24 A  301  HIS HIS                                                      
MODRES 4QDT YCM A  209  CYS  S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE                  
HET    YCM  A 209      10                                                       
HETNAM     YCM S-(2-AMINO-2-OXOETHYL)-L-CYSTEINE                                
HETSYN     YCM CYSTEINE-S-ACETAMIDE                                             
FORMUL   1  YCM    C5 H10 N2 O3 S                                               
FORMUL   2  HOH   *234(H2 O)                                                    
HELIX    1   1 ASN A   47  THR A   53  1                                   7    
HELIX    2   2 PRO A   54  TYR A   60  1                                   7    
HELIX    3   3 LYS A   94  ARG A  101  1                                   8    
HELIX    4   4 ARG A  101  GLY A  112  1                                  12    
HELIX    5   5 SER A  124  TYR A  137  1                                  14    
HELIX    6   6 TRP A  157  SER A  169  1                                  13    
HELIX    7   7 ASN A  173  GLY A  179  1                                   7    
HELIX    8   8 ASP A  183  ASN A  189  1                                   7    
HELIX    9   9 GLN A  194  ASN A  201  1                                   8    
HELIX   10  10 PRO A  223  ASP A  245  1                                  23    
HELIX   11  11 SER A  261  MET A  272  1                                  12    
HELIX   12  12 MET A  272  ASN A  281  1                                  10    
SHEET    1   A 8 GLU A   9  SER A  15  0                                        
SHEET    2   A 8 ARG A  20  GLN A  27 -1  O  ILE A  22   N  VAL A  13           
SHEET    3   A 8 SER A  65  PRO A  69 -1  O  MET A  68   N  GLN A  25           
SHEET    4   A 8 ALA A  33  LEU A  36  1  N  LEU A  36   O  ILE A  67           
SHEET    5   A 8 ALA A 119  LEU A 123  1  O  ALA A 119   N  TYR A  35           
SHEET    6   A 8 TYR A 143  LEU A 147  1  O  ALA A 145   N  ALA A 120           
SHEET    7   A 8 ARG A 204  TYR A 208  1  O  TYR A 208   N  SER A 146           
SHEET    8   A 8 GLY A 250  ASN A 253  1  O  VAL A 251   N  VAL A 207           
LINK         C   TYR A 208                 N   YCM A 209     1555   1555  1.33  
LINK         C   YCM A 209                 N   GLY A 210     1555   1555  1.33  
CRYST1   60.777   68.039   76.279  90.00  90.00  90.00 P 21 21 21    4          
ORIGX1      1.000000  0.000000  0.000000        0.00000                         
ORIGX2      0.000000  1.000000  0.000000        0.00000                         
ORIGX3      0.000000  0.000000  1.000000        0.00000                         
SCALE1      0.016454  0.000000  0.000000        0.00000                         
SCALE2      0.000000  0.014697  0.000000        0.00000                         
SCALE3      0.000000  0.000000  0.013110        0.00000                         
TER    2158      GLY A 282                                                      
MASTER      270    0    1   12    8    0    0    6 2370    1   12   24          
END                                                                             

Send your questions or comments to :
Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
For technical information about these pages see:
ESTHER Home Page and ACEDB Home Page
AcePerl Lincoln Stein Home Page
webmaster

Acknowledgements and disclaimer