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PDBsum entry 2y78

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Isomerase PDB id
2y78
Jmol
Contents
Protein chain
122 a.a.
Ligands
SO4 ×2
GOL ×2
Metals
_CL
Waters ×275
HEADER    ISOMERASE                               28-JAN-11   2Y78
TITLE     CRYSTAL STRUCTURE OF BPSS1823, A MIP-LIKE CHAPERONE FROM
TITLE    2 BURKHOLDERIA PSEUDOMALLEI
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE;
COMPND   3 CHAIN: A;
COMPND   4 SYNONYM: PROLYL-PEPTIDE ISOMERASE;
COMPND   5 EC: 5.2.1.8;
COMPND   6 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: BURKHOLDERIA PSEUDOMALLEI;
SOURCE   3 ORGANISM_TAXID: 272560;
SOURCE   4 STRAIN: K96243;
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE   7 EXPRESSION_SYSTEM_STRAIN: ROSETTA2;
SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE   9 EXPRESSION_SYSTEM_VECTOR: PET15B
KEYWDS    ISOMERASE, MIP, PPIASE, VIRULENCE
EXPDTA    X-RAY DIFFRACTION
AUTHOR    I.H.NORVILLE,K.O'SHEA,M.SARKAR-TYSON,N.J.HARMER
REVDAT   3   03-AUG-11 2Y78    1       CONECT
REVDAT   2   27-JUL-11 2Y78    1       JRNL   REMARK VERSN
REVDAT   1   25-MAY-11 2Y78    0
JRNL        AUTH   I.H.NORVILLE,K.O'SHEA,M.SARKAR-TYSON,S.ZHENG,R.W.TITBALL,
JRNL        AUTH 2 G.VARANI,N.J.HARMER
JRNL        TITL   THE STRUCTURE OF A BURKHOLDERIA PSEUDOMALLEI
JRNL        TITL 2 IMMUNOPHILIN-INHIBITOR COMPLEX REVEALS NEW APPROACHES TO
JRNL        TITL 3 ANTIMICROBIAL DEVELOPMENT
JRNL        REF    BIOCHEM.J.                    V. 437   413 2011
JRNL        REFN                   ISSN 0264-6021
JRNL        PMID   21574961
JRNL        DOI    10.1042/BJ20110345
REMARK   2
REMARK   2 RESOLUTION.    0.91 ANGSTROMS.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : PHENIX (PHENIX.REFINE)
REMARK   3   AUTHORS     : PAUL ADAMS,PAVEL AFONINE,VICENT CHEN,IAN
REMARK   3               : DAVIS,KRESHNA GOPAL,RALF GROSSE-KUNSTLEVE,
REMARK   3               : LI-WEI HUNG,ROBERT IMMORMINO,TOM IOERGER,
REMARK   3               : AIRLIE MCCOY,ERIK MCKEE,NIGEL MORIARTY,
REMARK   3               : REETAL PAI,RANDY READ,JANE RICHARDSON,
REMARK   3               : DAVID RICHARDSON,TOD ROMO,JIM SACCHETTINI,
REMARK   3               : NICHOLAS SAUTER,JACOB SMITH,LAURENT
REMARK   3               : STORONI,TOM TERWILLIGER,PETER ZWART
REMARK   3
REMARK   3    REFINEMENT TARGET : ML
REMARK   3
REMARK   3  DATA USED IN REFINEMENT.
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 0.910
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 26.646
REMARK   3   MIN(FOBS/SIGMA_FOBS)              : 0.01
REMARK   3   COMPLETENESS FOR RANGE        (%) : 96.65
REMARK   3   NUMBER OF REFLECTIONS             : 125244
REMARK   3
REMARK   3  FIT TO DATA USED IN REFINEMENT.
REMARK   3   R VALUE     (WORKING + TEST SET) : 0.1097
REMARK   3   R VALUE            (WORKING SET) : 0.1094
REMARK   3   FREE R VALUE                     : 0.1161
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 5.0
REMARK   3   FREE R VALUE TEST SET COUNT      : 6303
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 26.6578 -  1.9608    1.00    12932   665  0.1291 0.1317
REMARK   3     2  1.9608 -  1.5564    1.00    12401   690  0.0884 0.0967
REMARK   3     3  1.5564 -  1.3597    1.00    12314   644  0.0817 0.0974
REMARK   3     4  1.3597 -  1.2354    0.99    12201   645  0.0797 0.0861
REMARK   3     5  1.2354 -  1.1468    0.99    12141   632  0.0774 0.0902
REMARK   3     6  1.1468 -  1.0792    0.99    12107   611  0.0798 0.0900
REMARK   3     7  1.0792 -  1.0251    0.99    11980   649  0.0893 0.0966
REMARK   3     8  1.0251 -  0.9805    0.97    11721   646  0.1177 0.1338
REMARK   3     9  0.9805 -  0.9428    0.93    11283   617  0.1584 0.1706
REMARK   3    10  0.9428 -  0.9102    0.81     9861   504  0.2292 0.2267
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              : 0.400
REMARK   3   B_SOL              : 60.000
REMARK   3
REMARK   3  ERROR ESTIMATES.
REMARK   3   COORDINATE ERROR (MAXIMUM-LIKELIHOOD BASED)     : 0.08
REMARK   3   PHASE ERROR (DEGREES, MAXIMUM-LIKELIHOOD BASED) : 8.42
REMARK   3
REMARK   3  B VALUES.
REMARK   3   FROM WILSON PLOT           (A**2) : 8.07
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 14.0
REMARK   3   OVERALL ANISOTROPIC B VALUE.
REMARK   3    B11 (A**2) : 0.0000
REMARK   3    B22 (A**2) : 0.0000
REMARK   3    B33 (A**2) : 0.0000
REMARK   3    B12 (A**2) : 0.0000
REMARK   3    B13 (A**2) : 0.0000
REMARK   3    B23 (A**2) : 0.0000
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      :  0.014           1068
REMARK   3   ANGLE     :  1.586           1474
REMARK   3   CHIRALITY :  0.098            158
REMARK   3   PLANARITY :  0.010            195
REMARK   3   DIHEDRAL  : 12.678            421
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: RESIDUES BEFORE GLYCINE -8 ARE
REMARK   3    DISORDERED. G-8 TO H0 ARE ORDERED.
REMARK   4
REMARK   4 2Y78 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBE ON 29-JAN-11.
REMARK 100 THE PDBE ID CODE IS EBI-47082.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : 23-APR-09
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               : DIAMOND
REMARK 200  BEAMLINE                       : I02
REMARK 200  X-RAY GENERATOR MODEL          : NULL
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : 0.8610
REMARK 200  MONOCHROMATOR                  : SI CRYSTAL
REMARK 200  OPTICS                         : MIRRORS
REMARK 200
REMARK 200  DETECTOR TYPE                  : CCD
REMARK 200  DETECTOR MANUFACTURER          : ADSC
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : MOSFLM
REMARK 200  DATA SCALING SOFTWARE          : SCALA
REMARK 200
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 125244
REMARK 200  RESOLUTION RANGE HIGH      (A) : 0.91
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.30
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 0.0
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : 98.3
REMARK 200  DATA REDUNDANCY                : 5.9
REMARK 200  R MERGE                    (I) : 0.08
REMARK 200  R SYM                      (I) : NULL
REMARK 200   FOR THE DATA SET  : 13.80
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 0.91
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 0.96
REMARK 200  COMPLETENESS FOR SHELL     (%) : 88.2
REMARK 200  DATA REDUNDANCY IN SHELL       : 2.7
REMARK 200  R MERGE FOR SHELL          (I) : 0.40
REMARK 200  R SYM FOR SHELL            (I) : NULL
REMARK 200   FOR SHELL         : 2.20
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: PHASER
REMARK 200 STARTING MODEL: PDB ENTRIES 1FKB AND 1ROT
REMARK 200
REMARK 200 REMARK: NONE
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS   (%): 61.1
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.16
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: 1.1 M (NH4)2SO4, 0.05 M
REMARK 280  BIS-TRIS PH 5.5
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 43 21 2
REMARK 290
REMARK 290      SYMOP   SYMMETRY
REMARK 290     NNNMMM   OPERATOR
REMARK 290       1555   X,Y,Z
REMARK 290       2555   -X,-Y,Z+1/2
REMARK 290       3555   -Y+1/2,X+1/2,Z+3/4
REMARK 290       4555   Y+1/2,-X+1/2,Z+1/4
REMARK 290       5555   -X+1/2,Y+1/2,-Z+3/4
REMARK 290       6555   X+1/2,-Y+1/2,-Z+1/4
REMARK 290       7555   Y,X,-Z
REMARK 290       8555   -Y,-X,-Z+1/2
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        0.00000
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       59.58600
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       27.33850
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       27.33850
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000       89.37900
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       27.33850
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       27.33850
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       29.79300
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       27.33850
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       27.33850
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000       89.37900
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       27.33850
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       27.33850
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       29.79300
REMARK 290   SMTRY1   7  0.000000  1.000000  0.000000        0.00000
REMARK 290   SMTRY2   7  1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY3   7  0.000000  0.000000 -1.000000        0.00000
REMARK 290   SMTRY1   8  0.000000 -1.000000  0.000000        0.00000
REMARK 290   SMTRY2   8 -1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY3   8  0.000000  0.000000 -1.000000       59.58600
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: DIMERIC
REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC
REMARK 350 SOFTWARE USED: PISA
REMARK 350 TOTAL BURIED SURFACE AREA: 1800 ANGSTROM**2
REMARK 350 SURFACE AREA OF THE COMPLEX: 13780 ANGSTROM**2
REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -72.2 KCAL/MOL
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 350   BIOMT1   2  0.000000  1.000000  0.000000        0.00000
REMARK 350   BIOMT2   2  1.000000  0.000000  0.000000        0.00000
REMARK 350   BIOMT3   2  0.000000  0.000000 -1.000000        0.00000
REMARK 375
REMARK 375 SPECIAL POSITION
REMARK 375 THE FOLLOWING ATOMS ARE FOUND TO BE WITHIN 0.15 ANGSTROMS
REMARK 375 OF A SYMMETRY RELATED ATOM AND ARE ASSUMED TO BE ON SPECIAL
REMARK 375 POSITIONS.
REMARK 375
REMARK 375 ATOM RES CSSEQI
REMARK 375      HOH A2039   LIES ON A SPECIAL POSITION.
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     MET A   -19
REMARK 465     GLY A   -18
REMARK 465     SER A   -17
REMARK 465     SER A   -16
REMARK 465     HIS A   -15
REMARK 465     HIS A   -14
REMARK 465     HIS A   -13
REMARK 465     HIS A   -12
REMARK 465     HIS A   -11
REMARK 465     HIS A   -10
REMARK 465     SER A    -9
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A1114
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SO4 A1115
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A1116
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE GOL A1117
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE  CL A1118
DBREF  2Y78 A    1   113  UNP    Q63J95   Q63J95_BURPS     1    113
SEQADV 2Y78 MET A  -19  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 GLY A  -18  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 SER A  -17  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 SER A  -16  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 HIS A  -15  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 HIS A  -14  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 HIS A  -13  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 HIS A  -12  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 HIS A  -11  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 HIS A  -10  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 SER A   -9  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 SER A   -8  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 GLY A   -7  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 LEU A   -6  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 VAL A   -5  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 PRO A   -4  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 ARG A   -3  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 GLY A   -2  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 SER A   -1  UNP  Q63J95              EXPRESSION TAG
SEQADV 2Y78 HIS A    0  UNP  Q63J95              EXPRESSION TAG
SEQRES   1 A  133  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES   2 A  133  LEU VAL PRO ARG GLY SER HIS MET THR VAL VAL THR THR
SEQRES   3 A  133  GLU SER GLY LEU LYS TYR GLU ASP LEU THR GLU GLY SER
SEQRES   4 A  133  GLY ALA GLU ALA ARG ALA GLY GLN THR VAL SER VAL HIS
SEQRES   5 A  133  TYR THR GLY TRP LEU THR ASP GLY GLN LYS PHE ASP SER
SEQRES   6 A  133  SER LYS ASP ARG ASN ASP PRO PHE ALA PHE VAL LEU GLY
SEQRES   7 A  133  GLY GLY MET VAL ILE LYS GLY TRP ASP GLU GLY VAL GLN
SEQRES   8 A  133  GLY MET LYS VAL GLY GLY VAL ARG ARG LEU THR ILE PRO
SEQRES   9 A  133  PRO GLN LEU GLY TYR GLY ALA ARG GLY ALA GLY GLY VAL
SEQRES  10 A  133  ILE PRO PRO ASN ALA THR LEU VAL PHE GLU VAL GLU LEU
SEQRES  11 A  133  LEU ASP VAL
HET    SO4  A1114      10
HET    SO4  A1115       5
HET    GOL  A1116      11
HET    GOL  A1117      28
HET     CL  A1118       1
HETNAM     SO4 SULFATE ION
HETNAM     GOL GLYCEROL
HETNAM      CL CHLORIDE ION
HETSYN     GOL GLYCERIN
FORMUL   2  SO4    2(O4 S 2-)
FORMUL   3  GOL    2(C3 H8 O3)
FORMUL   4   CL    CL 1-
FORMUL   5  HOH   *274(H2 O)
HELIX    1   1 LEU A   -6  GLY A   -2  5                                   5
HELIX    2   2 ILE A   63  VAL A   70  1                                   8
HELIX    3   3 PRO A   84  GLY A   88  5                                   5
SHEET    1  AA 6 VAL A   4  THR A   5  0
SHEET    2  AA 6 LYS A  11  THR A  16 -1  O  TYR A  12   N  VAL A   4
SHEET    3  AA 6 VAL A  78  ILE A  83 -1  O  VAL A  78   N  THR A  16
SHEET    4  AA 6 LEU A 104  ASP A 112 -1  O  LEU A 104   N  ILE A  83
SHEET    5  AA 6 THR A  28  LEU A  37 -1  O  SER A  30   N  LEU A 111
SHEET    6  AA 6 LYS A  42  SER A  45 -1  N  PHE A  43   O  GLY A  35
SHEET    1  AB 6 VAL A   4  THR A   5  0
SHEET    2  AB 6 LYS A  11  THR A  16 -1  O  TYR A  12   N  VAL A   4
SHEET    3  AB 6 VAL A  78  ILE A  83 -1  O  VAL A  78   N  THR A  16
SHEET    4  AB 6 LEU A 104  ASP A 112 -1  O  LEU A 104   N  ILE A  83
SHEET    5  AB 6 THR A  28  LEU A  37 -1  O  SER A  30   N  LEU A 111
SHEET    6  AB 6 PHE A  53  VAL A  56  1  O  PHE A  53   N  VAL A  31
SHEET    1  AC 2 LYS A  42  SER A  45  0
SHEET    2  AC 2 THR A  28  LEU A  37 -1  O  GLY A  35   N  PHE A  43
SITE     1 AC1  8 ARG A  -3  MET A   1  ASN A  50  ARG A  92
SITE     2 AC1  8 ALA A  94  GLY A  95  HOH A2266  HOH A2267
SITE     1 AC2  6 ALA A  21  GLU A  22  ARG A  24  HOH A2111
SITE     2 AC2  6 HOH A2268  HOH A2269
SITE     1 AC3 10 HIS A  32  ASN A  50  ASP A  51  PRO A  52
SITE     2 AC3 10 ALA A  94  GLY A  95  GLY A  96  HOH A2237
SITE     3 AC3 10 HOH A2270  HOH A2271
SITE     1 AC4  4 TRP A  36  ARG A  80  HOH A2272  HOH A2273
SITE     1 AC5  4 LYS A  11  PHE A  55  VAL A  56  MET A  61
CRYST1   54.677   54.677  119.172  90.00  90.00  90.00 P 43 21 2     8
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      0.018289  0.000000  0.000000        0.00000
SCALE2      0.000000  0.018289  0.000000        0.00000
SCALE3      0.000000  0.000000  0.008391        0.00000
      
PROCHECK
Go to PROCHECK summary
 References