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PDBsum entry 1z81

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Isomerase PDB id
1z81
Jmol
Contents
Protein chain
186 a.a.
Waters ×16
HEADER    ISOMERASE                               29-MAR-05   1Z81
TITLE     CRYSTAL STRUCTURE OF CYCLOPHILIN FROM PLASMODIUM YOELII.
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: CYCLOPHILIN;
COMPND   3 CHAIN: A;
COMPND   4 EC: 5.2.1.8;
COMPND   5 ENGINEERED: YES
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: PLASMODIUM YOELII YOELII;
SOURCE   3 ORGANISM_TAXID: 73239;
SOURCE   4 STRAIN: YOELII;
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562;
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PET-28A VECTOR CUSTOMIZED FOR
SOURCE   9 THROMBIN CLEAVAGE AND LIC.
KEYWDS    STRUCTURAL GENOMICS, STRUCTURAL GENOMICS CONSORTIUM, SGC,
KEYWDS   2 ISOMERASE
EXPDTA    X-RAY DIFFRACTION
AUTHOR    A.MULICHAK,Z.ALAM,M.AMANI,J.LEW,G.WASNEY,M.SUNDSTROM,
AUTHOR   2 C.ARROWSMITH,A.EDWARDS,A.BOCHKAREV,R.HUI,M.VEDADI,
AUTHOR   3 STRUCTURAL GENOMICS CONSORTIUM (SGC)
REVDAT   3   24-FEB-09 1Z81    1       VERSN
REVDAT   2   26-DEC-06 1Z81    1       JRNL
REVDAT   1   05-APR-05 1Z81    0
JRNL        AUTH   M.VEDADI,J.LEW,J.ARTZ,M.AMANI,Y.ZHAO,A.DONG,
JRNL        AUTH 2 G.A.WASNEY,M.GAO,T.HILLS,S.BROKX,W.QIU,S.SHARMA,
JRNL        AUTH 3 A.DIASSITI,Z.ALAM,M.MELONE,A.MULICHAK,A.WERNIMONT,
JRNL        AUTH 4 J.BRAY,P.LOPPNAU,O.PLOTNIKOVA,K.NEWBERRY,
JRNL        AUTH 5 E.SUNDARARAJAN,S.HOUSTON,J.WALKER,W.TEMPEL,
JRNL        AUTH 6 A.BOCHKAREV,I.KOZIERADZKI,A.EDWARDS,C.ARROWSMITH,
JRNL        AUTH 7 D.ROOS,K.KAIN,R.HUI
JRNL        TITL   GENOME-SCALE PROTEIN EXPRESSION AND STRUCTURAL
JRNL        TITL 2 BIOLOGY OF PLASMODIUM FALCIPARUM AND RELATED
JRNL        TITL 3 APICOMPLEXAN ORGANISMS.
JRNL        REF    MOL.BIOCHEM.PARASITOL.        V. 151   100 2007
JRNL        REFN                   ISSN 0166-6851
JRNL        PMID   17125854
JRNL        DOI    10.1016/J.MOLBIOPARA.2006.10.011
REMARK   1
REMARK   2
REMARK   2 RESOLUTION.    2.80 ANGSTROMS.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : CNS 1.0
REMARK   3   AUTHORS     : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE-
REMARK   3               : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU,
REMARK   3               : READ,RICE,SIMONSON,WARREN
REMARK   3
REMARK   3  REFINEMENT TARGET : ENGH & HUBER
REMARK   3
REMARK   3  DATA USED IN REFINEMENT.
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.80
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 30.00
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.000
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 100.0
REMARK   3   NUMBER OF REFLECTIONS             : 8639
REMARK   3
REMARK   3  FIT TO DATA USED IN REFINEMENT.
REMARK   3   CROSS-VALIDATION METHOD          : THROUGHOUT
REMARK   3   FREE R VALUE TEST SET SELECTION  : RANDOM
REMARK   3   R VALUE            (WORKING SET) : 0.257
REMARK   3   FREE R VALUE                     : 0.285
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL
REMARK   3   FREE R VALUE TEST SET COUNT      : 462
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : NULL
REMARK   3
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.
REMARK   3   TOTAL NUMBER OF BINS USED           : NULL
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : NULL
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : NULL
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : NULL
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : NULL
REMARK   3   BIN R VALUE           (WORKING SET) : NULL
REMARK   3   BIN FREE R VALUE                    : NULL
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : NULL
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : NULL
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : NULL
REMARK   3
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK   3   PROTEIN ATOMS            : 1439
REMARK   3   NUCLEIC ACID ATOMS       : 0
REMARK   3   HETEROGEN ATOMS          : 0
REMARK   3   SOLVENT ATOMS            : 16
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  ESTIMATED COORDINATE ERROR.
REMARK   3   ESD FROM LUZZATI PLOT        (A) : NULL
REMARK   3   ESD FROM SIGMAA              (A) : NULL
REMARK   3   LOW RESOLUTION CUTOFF        (A) : NULL
REMARK   3
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : NULL
REMARK   3   ESD FROM C-V SIGMAA          (A) : NULL
REMARK   3
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.
REMARK   3   BOND LENGTHS                 (A) : NULL
REMARK   3   BOND ANGLES            (DEGREES) : NULL
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : NULL
REMARK   3   IMPROPER ANGLES        (DEGREES) : NULL
REMARK   3
REMARK   3  ISOTROPIC THERMAL MODEL : NULL
REMARK   3
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA
REMARK   3   MAIN-CHAIN BOND              (A**2) : NULL  ; NULL
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : NULL  ; NULL
REMARK   3   SIDE-CHAIN BOND              (A**2) : NULL  ; NULL
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : NULL  ; NULL
REMARK   3
REMARK   3  BULK SOLVENT MODELING.
REMARK   3   METHOD USED : NULL
REMARK   3   KSOL        : NULL
REMARK   3   BSOL        : NULL
REMARK   3
REMARK   3  NCS MODEL : NULL
REMARK   3
REMARK   3  NCS RESTRAINTS.                         RMS   SIGMA/WEIGHT
REMARK   3   GROUP  1  POSITIONAL            (A) : NULL  ; NULL
REMARK   3   GROUP  1  B-FACTOR           (A**2) : NULL  ; NULL
REMARK   3
REMARK   3  PARAMETER FILE  1  : NULL
REMARK   3  TOPOLOGY FILE  1   : NULL
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: SIDE CHAIN ATOMS FOR FOLLOWING
REMARK   3  RESIDUES WERE UNOBSERVED IN ELECTRON DENSITY MAPS AND WERE
REMARK   3  OMITTED FROM FINAL MODEL: THR25, TYR29, ASN33, SER39, LYS68,
REMARK   3  LYS82, VAL83, ASN84, ASN85, LEU86, SER115, GLU123, LYS124,
REMARK   3  LYS167, LYS 197, GLU206
REMARK   4
REMARK   4 1Z81 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 30-MAR-05.
REMARK 100 THE RCSB ID CODE IS RCSB032414.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : 06-FEB-05
REMARK 200  TEMPERATURE           (KELVIN) : 100
REMARK 200  PH                             : 8.5
REMARK 200  NUMBER OF CRYSTALS USED        : 1
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : Y
REMARK 200  RADIATION SOURCE               : APS
REMARK 200  BEAMLINE                       : 17-ID
REMARK 200  X-RAY GENERATOR MODEL          : NULL
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.0
REMARK 200  MONOCHROMATOR                  : SI 111
REMARK 200  OPTICS                         : NULL
REMARK 200
REMARK 200  DETECTOR TYPE                  : CCD
REMARK 200  DETECTOR MANUFACTURER          : ADSC QUANTUM 210
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : HKL-2000
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK
REMARK 200
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 9050
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.750
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     (%) : 98.6
REMARK 200  DATA REDUNDANCY                : 10.000
REMARK 200  R MERGE                    (I) : NULL
REMARK 200  R SYM                      (I) : 0.05900
REMARK 200   FOR THE DATA SET  : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.75
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.85
REMARK 200  COMPLETENESS FOR SHELL     (%) : 100.0
REMARK 200  DATA REDUNDANCY IN SHELL       : 10.00
REMARK 200  R MERGE FOR SHELL          (I) : NULL
REMARK 200  R SYM FOR SHELL            (I) : 0.33000
REMARK 200   FOR SHELL         : NULL
REMARK 200
REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MOLECULAR REPLACEMENT
REMARK 200 SOFTWARE USED: AMORE
REMARK 200 STARTING MODEL: 1MZW
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS   (%): 60.42
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 3.11
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: AMMONIUM SULFATE, LITHIUM CHLORIDE,
REMARK 280  TRIS HCL BUFFER, PH 8.5, VAPOR DIFFUSION, HANGING DROP,
REMARK 280  TEMPERATURE 298K
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       78.28000
REMARK 290   SMTRY1   3  0.000000 -1.000000  0.000000       32.11500
REMARK 290   SMTRY2   3  1.000000  0.000000  0.000000       32.11500
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000      117.42000
REMARK 290   SMTRY1   4  0.000000  1.000000  0.000000       32.11500
REMARK 290   SMTRY2   4 -1.000000  0.000000  0.000000       32.11500
REMARK 290   SMTRY3   4  0.000000  0.000000  1.000000       39.14000
REMARK 290   SMTRY1   5 -1.000000  0.000000  0.000000       32.11500
REMARK 290   SMTRY2   5  0.000000  1.000000  0.000000       32.11500
REMARK 290   SMTRY3   5  0.000000  0.000000 -1.000000      117.42000
REMARK 290   SMTRY1   6  1.000000  0.000000  0.000000       32.11500
REMARK 290   SMTRY2   6  0.000000 -1.000000  0.000000       32.11500
REMARK 290   SMTRY3   6  0.000000  0.000000 -1.000000       39.14000
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       78.28000
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 300 REMARK: BIOLOGICAL ASSEMBLY IS MONOMER OF ASYMMETRIC UNIT.
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. (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   -18
REMARK 465     GLY A   -17
REMARK 465     SER A   -16
REMARK 465     SER 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     HIS A    -9
REMARK 465     SER A    -8
REMARK 465     SER A    -7
REMARK 465     GLY A    -6
REMARK 465     LEU A    -5
REMARK 465     VAL A    -4
REMARK 465     PRO A    -3
REMARK 465     ARG A    -2
REMARK 465     GLY A    -1
REMARK 465     SER A     0
REMARK 465     MET A     1
REMARK 465     LYS A     2
REMARK 465     SER A     3
REMARK 465     ASN A     4
REMARK 465     SER A     5
REMARK 465     LYS A     6
REMARK 465     ASP A     7
REMARK 465     SER A     8
REMARK 465     GLU A     9
REMARK 465     ASN A    10
REMARK 465     LYS A    11
REMARK 465     LYS A    12
REMARK 465     VAL A    13
REMARK 465     GLU A    14
REMARK 465     ASN A    15
REMARK 465     LEU A    16
REMARK 465     VAL A    17
REMARK 465     LEU A    18
REMARK 465     ASP A    19
REMARK 465     ASP A    20
REMARK 465     ASN A    21
REMARK 465     ASP A    22
REMARK 465     GLU A    23
REMARK 465     ASN A    24
REMARK 470
REMARK 470 MISSING ATOM
REMARK 470 THE FOLLOWING RESIDUES HAVE MISSING ATOMS(M=MODEL NUMBER;
REMARK 470 RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER;
REMARK 470 I=INSERTION CODE):
REMARK 470   M RES CSSEQI  ATOMS
REMARK 470     THR A  25    OG1  CG2
REMARK 470     TYR A  29    CG   CD1  CD2  CE1  CE2  CZ   OH
REMARK 470     ASN A  33    CG   OD1  ND2
REMARK 470     SER A  39    OG
REMARK 470     LYS A  68    CG   CD   CE   NZ
REMARK 470     LYS A  82    CG   CD   CE   NZ
REMARK 470     VAL A  83    CG1  CG2
REMARK 470     ASN A  84    CG   OD1  ND2
REMARK 470     ASN A  85    CG   OD1  ND2
REMARK 470     LEU A  86    CG   CD1  CD2
REMARK 470     SER A 115    OG
REMARK 470     GLU A 123    CG   CD   OE1  OE2
REMARK 470     LYS A 124    CG   CD   CE   NZ
REMARK 470     LYS A 167    CG   CD   CE   NZ
REMARK 470     LYS A 197    CG   CD   CE   NZ
REMARK 470     GLU A 206    CG   CD   OE1  OE2
REMARK 480
REMARK 480 ZERO OCCUPANCY ATOM
REMARK 480 THE FOLLOWING RESIDUES HAVE ATOMS MODELED WITH ZERO
REMARK 480 OCCUPANCY. THE LOCATION AND PROPERTIES OF THESE ATOMS
REMARK 480 MAY NOT BE RELIABLE. (M=MODEL NUMBER; RES=RESIDUE NAME;
REMARK 480 C=CHAIN IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 480   M RES C SSEQI ATOMS
REMARK 480     ASN A   84   CB
REMARK 480     ASN A   85   CA
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS THAT ARE RELATED BY CRYSTALLOGRAPHIC
REMARK 500 SYMMETRY ARE IN CLOSE CONTACT.  AN ATOM LOCATED WITHIN 0.15
REMARK 500 ANGSTROMS OF A SYMMETRY RELATED ATOM IS ASSUMED TO BE ON A
REMARK 500 SPECIAL POSITION AND IS, THEREFORE, LISTED IN REMARK 375
REMARK 500 INSTEAD OF REMARK 500.  ATOMS WITH NON-BLANK ALTERNATE
REMARK 500 LOCATION INDICATORS ARE NOT INCLUDED IN THE CALCULATIONS.
REMARK 500
REMARK 500 DISTANCE CUTOFF:
REMARK 500 2.2 ANGSTROMS FOR CONTACTS NOT INVOLVING HYDROGEN ATOMS
REMARK 500 1.6 ANGSTROMS FOR CONTACTS INVOLVING HYDROGEN ATOMS
REMARK 500
REMARK 500  ATM1  RES C  SSEQI   ATM2  RES C  SSEQI  SSYMOP   DISTANCE
REMARK 500   O    PRO A   193     OH   TYR A   196     8665     2.15
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    ILE A  27      138.08   -170.74
REMARK 500    ASN A  33       -7.73    -58.25
REMARK 500    ASN A  84       41.38     76.07
REMARK 500    THR A  93     -168.91   -101.55
REMARK 500    PHE A 102      -70.36   -136.28
REMARK 500    ASP A 108       76.92   -102.97
REMARK 500    TYR A 121       20.98   -146.97
REMARK 500    LYS A 124      165.59    173.85
REMARK 500    ASN A 129      169.95    170.83
REMARK 500    ASN A 150      108.47    -53.68
REMARK 500    TRP A 163      -11.40    -45.37
REMARK 500    ASP A 165       92.48    -62.23
REMARK 500    PRO A 193      -59.04    -22.05
REMARK 500    PRO A 201      133.11    -28.40
REMARK 500
REMARK 500 REMARK: NULL
DBREF  1Z81 A    1   210  UNP    Q7RSH5   Q7RSH5_PLAYO     1    210
SEQADV 1Z81 MET A  -18  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 GLY A  -17  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 SER A  -16  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 SER A  -15  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 HIS A  -14  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 HIS A  -13  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 HIS A  -12  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 HIS A  -11  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 HIS A  -10  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 HIS A   -9  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 SER A   -8  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 SER A   -7  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 GLY A   -6  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 LEU A   -5  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 VAL A   -4  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 PRO A   -3  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 ARG A   -2  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 GLY A   -1  UNP  Q7RSH5              CLONING ARTIFACT
SEQADV 1Z81 SER A    0  UNP  Q7RSH5              CLONING ARTIFACT
SEQRES   1 A  229  MET GLY SER SER HIS HIS HIS HIS HIS HIS SER SER GLY
SEQRES   2 A  229  LEU VAL PRO ARG GLY SER MET LYS SER ASN SER LYS ASP
SEQRES   3 A  229  SER GLU ASN LYS LYS VAL GLU ASN LEU VAL LEU ASP ASP
SEQRES   4 A  229  ASN ASP GLU ASN THR ILE ILE PRO TYR TYR LEU SER ASN
SEQRES   5 A  229  LEU LEU THR ASN PRO SER ASN PRO VAL VAL PHE MET ASP
SEQRES   6 A  229  ILE ASN LEU GLY ASN ASN PHE LEU GLY LYS PHE LYS PHE
SEQRES   7 A  229  GLU LEU PHE GLN ASN ILE VAL PRO LYS THR SER GLU ASN
SEQRES   8 A  229  PHE ARG GLN PHE CYS THR GLY GLU TYR LYS VAL ASN ASN
SEQRES   9 A  229  LEU PRO VAL GLY TYR LYS ASN THR ILE PHE HIS ARG VAL
SEQRES  10 A  229  ILE LYS GLU PHE MET ILE GLN GLY GLY ASP PHE ILE ASN
SEQRES  11 A  229  HIS ASN GLY SER GLY SER LEU SER ILE TYR GLY GLU LYS
SEQRES  12 A  229  PHE ASP ASP GLU ASN PHE ASP ILE LYS HIS ASP LYS GLU
SEQRES  13 A  229  GLY LEU LEU SER MET ALA ASN SER GLY PRO ASN THR ASN
SEQRES  14 A  229  GLY CYS GLN PHE PHE ILE THR THR LYS LYS CYS GLU TRP
SEQRES  15 A  229  LEU ASP GLY LYS ASN VAL VAL PHE GLY ARG ILE ILE ASP
SEQRES  16 A  229  ASN ASP SER LEU LEU LEU LEU LYS LYS ILE GLU ASN VAL
SEQRES  17 A  229  SER VAL THR PRO TYR ILE TYR LYS PRO LYS ILE PRO ILE
SEQRES  18 A  229  ASN VAL VAL GLU CYS GLY GLU LEU
FORMUL   2  HOH   *16(H2 O)
HELIX    1   1 TYR A   30  LEU A   35  5                                   6
HELIX    2   2 VAL A   66  GLY A   79  1                                  14
HELIX    3   3 CYS A  161  ASP A  165  5                                   5
HELIX    4   4 ASP A  176  VAL A  189  1                                  14
SHEET    1   A 9 THR A  93  ILE A  94  0
SHEET    2   A 9 ILE A 202  GLU A 209 -1  O  VAL A 204   N  THR A  93
SHEET    3   A 9 VAL A  42  LEU A  49 -1  N  ASP A  46   O  GLU A 206
SHEET    4   A 9 ASN A  52  LEU A  61 -1  O  PHE A  57   N  MET A  45
SHEET    5   A 9 VAL A 170  ILE A 174 -1  O  ARG A 173   N  GLU A  60
SHEET    6   A 9 LEU A 139  MET A 142 -1  N  LEU A 140   O  GLY A 172
SHEET    7   A 9 PHE A 154  THR A 157 -1  O  THR A 157   N  LEU A 139
SHEET    8   A 9 MET A 103  GLY A 106 -1  N  ILE A 104   O  ILE A 156
SHEET    9   A 9 ARG A  97  ILE A  99 -1  N  ILE A  99   O  MET A 103
CRYST1   64.230   64.230  156.560  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      0.015569  0.000000  0.000000        0.00000
SCALE2      0.000000  0.015569  0.000000        0.00000
SCALE3      0.000000  0.000000  0.006387        0.00000
      
PROCHECK
Go to PROCHECK summary
 References