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Database: PDB
Entry: 2MU2
LinkDB: 2MU2
Original site: 2MU2 
HEADER    HYDROLASE                               03-SEP-14   2MU2              
TITLE     NMR STRUCTURE OF THE CAP DOMAIN OF NP_346487.1, A PUTATIVE            
TITLE    2 PHOSPHOGLYCOLATE PHOSPHATASE FROM STREPTOCOCCUS PNEUMONIAE TIGR4     
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE: HYDROLASE, HALOACID DEHALOGENASE-LIKE FAMILY;              
COMPND   3 CHAIN: A;                                                            
COMPND   4 ENGINEERED: YES                                                      
SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE TIGR4;                 
SOURCE   3 ORGANISM_TAXID: 170187;                                              
SOURCE   4 STRAIN: TIGR4;                                                       
SOURCE   5 GENE: SP_2064;                                                       
SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
SOURCE   7 EXPRESSION_SYSTEM_TAXID: 469008;                                     
SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21DE3;                                   
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET28TEV                                   
KEYWDS    HYDROLASE                                                             
EXPDTA    SOLUTION NMR                                                          
NUMMDL    20                                                                    
AUTHOR    K.JAUDZEMS,P.SERRANO,B.PEDRINI,M.GERALT,K.WUTHRICH,JOINT CENTER FOR   
AUTHOR   2 STRUCTURAL GENOMICS (JCSG)                                           
REVDAT   3   27-APR-16 2MU2    1       ATOM   DBREF  REMARK SEQADV              
REVDAT   3 2                   1       SEQRES                                   
REVDAT   2   23-DEC-15 2MU2    1       JRNL                                     
REVDAT   1   24-SEP-14 2MU2    0                                                
JRNL        AUTH   K.JAUDZEMS,B.PEDRINI,M.GERALT,P.SERRANO,K.WUTHRICH           
JRNL        TITL   J-UNIO PROTOCOL USED FOR NMR STRUCTURE DETERMINATION OF THE  
JRNL        TITL 2 206-RESIDUE PROTEIN NP_346487.1 FROM STREPTOCOCCUS           
JRNL        TITL 3 PNEUMONIAE TIGR4.                                            
JRNL        REF    J.BIOMOL.NMR                  V.  61    65 2015              
JRNL        REFN                   ISSN 0925-2738                               
JRNL        PMID   25428766                                                     
JRNL        DOI    10.1007/S10858-014-9886-3                                    
REMARK   2                                                                      
REMARK   2 RESOLUTION. NOT APPLICABLE.                                          
REMARK   3                                                                      
REMARK   3 REFINEMENT.                                                          
REMARK   3   PROGRAM     : OPAL, CYANA 3.0                                      
REMARK   3   AUTHORS     : LUGINBUHL, GUNTERT, BILLETER AND WUTHRICH (OPAL),    
REMARK   3                 GUNTERT, MUMENTHALER AND WUTHRICH (CYANA)            
REMARK   3                                                                      
REMARK   3  OTHER REFINEMENT REMARKS: NULL                                      
REMARK   4                                                                      
REMARK   4 2MU2 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11                         
REMARK 100                                                                      
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 12-SEP-14.                  
REMARK 100 THE RCSB ID CODE IS RCSB104045.                                      
REMARK 210                                                                      
REMARK 210 EXPERIMENTAL DETAILS                                                 
REMARK 210  EXPERIMENT TYPE                : NMR                                
REMARK 210  TEMPERATURE           (KELVIN) : 298                                
REMARK 210  PH                             : 6.5                                
REMARK 210  IONIC STRENGTH                 : 0.08                               
REMARK 210  PRESSURE                       : AMBIENT                            
REMARK 210  SAMPLE CONTENTS                : 1.5 MM [U-100% 13C; U-100% 15N]    
REMARK 210                                   PROTEIN, 5 % [U-100% 2H] D2O,      
REMARK 210                                   0.03 % SODIUM AZIDE, 20 MM SODIUM  
REMARK 210                                   PHOSPHATE, 50 MM SODIUM CHLORIDE,  
REMARK 210                                   95% H2O/5% D2O                     
REMARK 210                                                                      
REMARK 210  NMR EXPERIMENTS CONDUCTED      : 5D APSY-HACACONH; 4D APSY-         
REMARK 210                                   HACANH; 4D APSY-HNCOCA; 4D APSY-   
REMARK 210                                   HNCACO; 5D APSY-CBCACONH; 3D 1H-   
REMARK 210                                   15N NOESY; 3D 1H-13C NOESY         
REMARK 210                                   ALIPHATIC; 3D 1H-13C NOESY         
REMARK 210                                   AROMATIC                           
REMARK 210  SPECTROMETER FIELD STRENGTH    : 600 MHZ; 800 MHZ                   
REMARK 210  SPECTROMETER MODEL             : AVANCE                             
REMARK 210  SPECTROMETER MANUFACTURER      : BRUKER                             
REMARK 210                                                                      
REMARK 210  STRUCTURE DETERMINATION.                                            
REMARK 210   SOFTWARE USED                 : CYANA 3.0, TOPSPIN 2.1, CARA       
REMARK 210                                   1.9, UNIO-MATCH, UNIO-ATNOS/       
REMARK 210                                   ASCAN, UNIO-ATNOS/CANDID           
REMARK 210   METHOD USED                   : TORSION ANGLE DYNAMICS,            
REMARK 210                                   SIMULATED ANNEALING                
REMARK 210                                                                      
REMARK 210 CONFORMERS, NUMBER CALCULATED   : 100                                
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 465                                                                      
REMARK 465 MISSING RESIDUES                                                     
REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE                       
REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER;                   
REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.)                            
REMARK 465   MODELS 1-20                                                        
REMARK 465     RES C SSSEQI                                                     
REMARK 465     GLY A    -1                                                      
REMARK 465     HIS A     0                                                      
REMARK 465     MET A     1                                                      
REMARK 465     GLN A     2                                                      
REMARK 465     LYS A     3                                                      
REMARK 465     THR A     4                                                      
REMARK 465     ALA A     5                                                      
REMARK 465     PHE A     6                                                      
REMARK 465     ILE A     7                                                      
REMARK 465     TRP A     8                                                      
REMARK 465     ASP A     9                                                      
REMARK 465     LEU A    10                                                      
REMARK 465     ASP A    11                                                      
REMARK 465     GLY A    12                                                      
REMARK 465     THR A    13                                                      
REMARK 465     LEU A    85                                                      
REMARK 465     MET A    86                                                      
REMARK 465     PRO A    87                                                      
REMARK 465     GLY A    88                                                      
REMARK 465     ALA A    89                                                      
REMARK 465     ARG A    90                                                      
REMARK 465     GLU A    91                                                      
REMARK 465     VAL A    92                                                      
REMARK 465     LEU A    93                                                      
REMARK 465     ALA A    94                                                      
REMARK 465     TRP A    95                                                      
REMARK 465     ALA A    96                                                      
REMARK 465     ASP A    97                                                      
REMARK 465     GLU A    98                                                      
REMARK 465     SER A    99                                                      
REMARK 465     GLY A   100                                                      
REMARK 465     ILE A   101                                                      
REMARK 465     GLN A   102                                                      
REMARK 465     GLN A   103                                                      
REMARK 465     PHE A   104                                                      
REMARK 465     ILE A   105                                                      
REMARK 465     TYR A   106                                                      
REMARK 465     THR A   107                                                      
REMARK 465     HIS A   108                                                      
REMARK 465     LYS A   109                                                      
REMARK 465     GLY A   110                                                      
REMARK 465     ASN A   111                                                      
REMARK 465     ASN A   112                                                      
REMARK 465     ALA A   113                                                      
REMARK 465     PHE A   114                                                      
REMARK 465     THR A   115                                                      
REMARK 465     ILE A   116                                                      
REMARK 465     LEU A   117                                                      
REMARK 465     LYS A   118                                                      
REMARK 465     ASP A   119                                                      
REMARK 465     LEU A   120                                                      
REMARK 465     GLY A   121                                                      
REMARK 465     VAL A   122                                                      
REMARK 465     GLU A   123                                                      
REMARK 465     SER A   124                                                      
REMARK 465     TYR A   125                                                      
REMARK 465     PHE A   126                                                      
REMARK 465     THR A   127                                                      
REMARK 465     GLU A   128                                                      
REMARK 465     ILE A   129                                                      
REMARK 465     LEU A   130                                                      
REMARK 465     THR A   131                                                      
REMARK 465     SER A   132                                                      
REMARK 465     GLN A   133                                                      
REMARK 465     SER A   134                                                      
REMARK 465     GLY A   135                                                      
REMARK 465     PHE A   136                                                      
REMARK 465     VAL A   137                                                      
REMARK 465     ARG A   138                                                      
REMARK 465     LYS A   139                                                      
REMARK 465     PRO A   140                                                      
REMARK 465     SER A   141                                                      
REMARK 465     PRO A   142                                                      
REMARK 465     GLU A   143                                                      
REMARK 465     ALA A   144                                                      
REMARK 465     ALA A   145                                                      
REMARK 465     THR A   146                                                      
REMARK 465     TYR A   147                                                      
REMARK 465     LEU A   148                                                      
REMARK 465     LEU A   149                                                      
REMARK 465     ASP A   150                                                      
REMARK 465     LYS A   151                                                      
REMARK 465     TYR A   152                                                      
REMARK 465     GLN A   153                                                      
REMARK 465     LEU A   154                                                      
REMARK 465     ASN A   155                                                      
REMARK 465     SER A   156                                                      
REMARK 465     ASP A   157                                                      
REMARK 465     ASN A   158                                                      
REMARK 465     THR A   159                                                      
REMARK 465     TYR A   160                                                      
REMARK 465     TYR A   161                                                      
REMARK 465     ILE A   162                                                      
REMARK 465     GLY A   163                                                      
REMARK 465     ASP A   164                                                      
REMARK 465     ARG A   165                                                      
REMARK 465     THR A   166                                                      
REMARK 465     LEU A   167                                                      
REMARK 465     ASP A   168                                                      
REMARK 465     VAL A   169                                                      
REMARK 465     GLU A   170                                                      
REMARK 465     PHE A   171                                                      
REMARK 465     ALA A   172                                                      
REMARK 465     GLN A   173                                                      
REMARK 465     ASN A   174                                                      
REMARK 465     SER A   175                                                      
REMARK 465     GLY A   176                                                      
REMARK 465     ILE A   177                                                      
REMARK 465     GLN A   178                                                      
REMARK 465     SER A   179                                                      
REMARK 465     ILE A   180                                                      
REMARK 465     ASN A   181                                                      
REMARK 465     PHE A   182                                                      
REMARK 465     LEU A   183                                                      
REMARK 465     GLU A   184                                                      
REMARK 465     SER A   185                                                      
REMARK 465     THR A   186                                                      
REMARK 465     TYR A   187                                                      
REMARK 465     GLU A   188                                                      
REMARK 465     GLY A   189                                                      
REMARK 465     ASN A   190                                                      
REMARK 465     HIS A   191                                                      
REMARK 465     ARG A   192                                                      
REMARK 465     ILE A   193                                                      
REMARK 465     GLN A   194                                                      
REMARK 465     ALA A   195                                                      
REMARK 465     LEU A   196                                                      
REMARK 465     ALA A   197                                                      
REMARK 465     ASP A   198                                                      
REMARK 465     ILE A   199                                                      
REMARK 465     SER A   200                                                      
REMARK 465     ARG A   201                                                      
REMARK 465     ILE A   202                                                      
REMARK 465     PHE A   203                                                      
REMARK 465     GLU A   204                                                      
REMARK 465     THR A   205                                                      
REMARK 465     LYS A   206                                                      
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  3 ARG A  61   CD  -  NE  -  CZ  ANGL. DEV. =   8.9 DEGREES          
REMARK 500  4 ARG A  72   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.4 DEGREES          
REMARK 500  5 ARG A  42   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500  8 ARG A  42   NE  -  CZ  -  NH2 ANGL. DEV. =  -3.2 DEGREES          
REMARK 500 12 ARG A  42   NE  -  CZ  -  NH1 ANGL. DEV. =   3.1 DEGREES          
REMARK 500 13 LEU A  68   CB  -  CG  -  CD1 ANGL. DEV. =  11.9 DEGREES          
REMARK 500 15 ARG A  42   NE  -  CZ  -  NH2 ANGL. DEV. =  -4.1 DEGREES          
REMARK 500 16 TYR A  18   CB  -  CG  -  CD2 ANGL. DEV. =  -3.7 DEGREES          
REMARK 500 17 LEU A  68   CB  -  CG  -  CD1 ANGL. DEV. =  11.3 DEGREES          
REMARK 500 17 VAL A  71   CG1 -  CB  -  CG2 ANGL. DEV. = -10.0 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 ASP A  37      111.18   -160.55                                   
REMARK 500  1 LEU A  63     -165.23   -114.65                                   
REMARK 500  2 TYR A  48      -87.39   -137.97                                   
REMARK 500  2 SER A  49      173.81    179.50                                   
REMARK 500  2 ARG A  72        4.43    -67.88                                   
REMARK 500  3 ASP A  37      108.07   -168.01                                   
REMARK 500  3 TYR A  48      -87.28   -134.02                                   
REMARK 500  3 SER A  49     -175.54    174.41                                   
REMARK 500  4 TYR A  48      -86.62   -132.82                                   
REMARK 500  4 SER A  49      158.81    177.16                                   
REMARK 500  4 ARG A  61     -166.52    -78.33                                   
REMARK 500  4 LEU A  63     -159.71   -115.29                                   
REMARK 500  5 SER A  17       46.33    -81.38                                   
REMARK 500  5 TYR A  48      -86.73   -132.98                                   
REMARK 500  5 SER A  49     -153.77   -176.38                                   
REMARK 500  5 ARG A  61      -87.16    -80.89                                   
REMARK 500  5 ASN A  62       13.87    174.09                                   
REMARK 500  6 LEU A  15       22.23   -148.33                                   
REMARK 500  6 TYR A  18      -50.79   -129.52                                   
REMARK 500  6 TYR A  48      -86.56   -130.36                                   
REMARK 500  6 SER A  49      167.63    176.91                                   
REMARK 500  6 GLN A  74       13.51    -68.72                                   
REMARK 500  7 TYR A  48      -87.49   -132.45                                   
REMARK 500  7 SER A  49     -179.53    176.28                                   
REMARK 500  7 ARG A  61      -88.26    -82.44                                   
REMARK 500  7 ASN A  62       13.68    174.58                                   
REMARK 500  8 TYR A  48      -87.63   -134.73                                   
REMARK 500  8 SER A  75     -152.08     56.11                                   
REMARK 500  8 LEU A  76      -46.88     75.45                                   
REMARK 500  9 ASP A  16       29.09     47.81                                   
REMARK 500  9 LEU A  63     -156.25   -100.22                                   
REMARK 500  9 SER A  75      107.00    -54.06                                   
REMARK 500  9 ASN A  80       35.40    -93.74                                   
REMARK 500 10 TYR A  48      -87.14   -130.02                                   
REMARK 500 10 SER A  49     -179.92    179.22                                   
REMARK 500 10 ASN A  62       55.76   -116.06                                   
REMARK 500 10 SER A  75       99.20    -44.68                                   
REMARK 500 11 TYR A  48      -86.06   -122.14                                   
REMARK 500 11 SER A  49      174.51    174.89                                   
REMARK 500 12 PHE A  32      -68.98    -95.06                                   
REMARK 500 12 SER A  33        4.68    173.54                                   
REMARK 500 12 TYR A  48      -87.00   -125.61                                   
REMARK 500 12 SER A  49      173.24    174.57                                   
REMARK 500 13 TYR A  48      -86.34   -129.86                                   
REMARK 500 14 ASP A  16       59.54    -94.70                                   
REMARK 500 14 ASN A  62       55.75   -117.93                                   
REMARK 500 14 LEU A  63     -168.94   -113.66                                   
REMARK 500 14 SER A  75       92.36    -58.00                                   
REMARK 500 15 TYR A  48      -87.27   -129.34                                   
REMARK 500 15 SER A  49      170.95    174.42                                   
REMARK 500                                                                      
REMARK 500 THIS ENTRY HAS      69 RAMACHANDRAN OUTLIERS.                        
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  42         0.08    SIDE CHAIN                              
REMARK 500  2 ARG A  42         0.10    SIDE CHAIN                              
REMARK 500  3 TYR A  18         0.07    SIDE CHAIN                              
REMARK 500  3 TYR A  36         0.07    SIDE CHAIN                              
REMARK 500  3 TYR A  48         0.08    SIDE CHAIN                              
REMARK 500  4 ARG A  61         0.09    SIDE CHAIN                              
REMARK 500  6 ARG A  72         0.09    SIDE CHAIN                              
REMARK 500  7 ARG A  42         0.11    SIDE CHAIN                              
REMARK 500  8 ARG A  42         0.11    SIDE CHAIN                              
REMARK 500  9 TYR A  36         0.09    SIDE CHAIN                              
REMARK 500  9 ARG A  61         0.08    SIDE CHAIN                              
REMARK 500  9 ARG A  72         0.11    SIDE CHAIN                              
REMARK 500 10 TYR A  48         0.07    SIDE CHAIN                              
REMARK 500 11 TYR A  18         0.10    SIDE CHAIN                              
REMARK 500 11 ARG A  42         0.08    SIDE CHAIN                              
REMARK 500 13 ARG A  42         0.10    SIDE CHAIN                              
REMARK 500 13 ARG A  72         0.09    SIDE CHAIN                              
REMARK 500 16 TYR A  18         0.10    SIDE CHAIN                              
REMARK 500 19 ARG A  56         0.10    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 13 LEU A  54        24.2      L          L   OUTSIDE RANGE           
REMARK 500 16 ASN A  62        23.0      L          L   OUTSIDE RANGE           
REMARK 500                                                                      
REMARK 500 REMARK: NULL                                                         
REMARK 900                                                                      
REMARK 900 RELATED ENTRIES                                                      
REMARK 900 RELATED ID: 2MSN   RELATED DB: PDB                                   
REMARK 900 NMR STRUCTURE OF FULL-LENGTH NP_346487.1                             
REMARK 900 RELATED ID: 25127   RELATED DB: BMRB                                 
REMARK 900 RELATED ID: 2MU1   RELATED DB: PDB                                   
REMARK 900 RELATED ID: JCSG-359637   RELATED DB: TARGETTRACK                    
DBREF1 2MU2 A    1   206  UNP                  A0A0H2URV7_STRPN                 
DBREF2 2MU2 A     A0A0H2URV7                          1         206             
SEQADV 2MU2 GLY A   -1  UNP  A0A0H2URV           EXPRESSION TAG                 
SEQADV 2MU2 HIS A    0  UNP  A0A0H2URV           EXPRESSION TAG                 
SEQRES   1 A  208  GLY HIS MET GLN LYS THR ALA PHE ILE TRP ASP LEU ASP          
SEQRES   2 A  208  GLY THR LEU LEU ASP SER TYR GLU ALA ILE LEU SER GLY          
SEQRES   3 A  208  ILE GLU GLU THR PHE ALA GLN PHE SER ILE PRO TYR ASP          
SEQRES   4 A  208  LYS GLU LYS VAL ARG GLU PHE ILE PHE LYS TYR SER VAL          
SEQRES   5 A  208  GLN ASP LEU LEU VAL ARG VAL ALA GLU ASP ARG ASN LEU          
SEQRES   6 A  208  ASP VAL GLU VAL LEU ASN GLN VAL ARG ALA GLN SER LEU          
SEQRES   7 A  208  ALA GLU LYS ASN ALA GLN VAL VAL LEU MET PRO GLY ALA          
SEQRES   8 A  208  ARG GLU VAL LEU ALA TRP ALA ASP GLU SER GLY ILE GLN          
SEQRES   9 A  208  GLN PHE ILE TYR THR HIS LYS GLY ASN ASN ALA PHE THR          
SEQRES  10 A  208  ILE LEU LYS ASP LEU GLY VAL GLU SER TYR PHE THR GLU          
SEQRES  11 A  208  ILE LEU THR SER GLN SER GLY PHE VAL ARG LYS PRO SER          
SEQRES  12 A  208  PRO GLU ALA ALA THR TYR LEU LEU ASP LYS TYR GLN LEU          
SEQRES  13 A  208  ASN SER ASP ASN THR TYR TYR ILE GLY ASP ARG THR LEU          
SEQRES  14 A  208  ASP VAL GLU PHE ALA GLN ASN SER GLY ILE GLN SER ILE          
SEQRES  15 A  208  ASN PHE LEU GLU SER THR TYR GLU GLY ASN HIS ARG ILE          
SEQRES  16 A  208  GLN ALA LEU ALA ASP ILE SER ARG ILE PHE GLU THR LYS          
HELIX    1   1 ASP A   16  GLN A   31  1                                  16    
HELIX    2   2 ASP A   37  ILE A   45  1                                   9    
HELIX    3   3 SER A   49  ASN A   62  1                                  14    
HELIX    4   4 ASP A   64  ALA A   73  1                                  10    
HELIX    5   5 SER A   75  ALA A   81  1                                   7    
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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