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HEADER    SERINE ESTERASE                         13-JUL-96   1GPL
TITLE     RP2 LIPASE
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: RP2 LIPASE;
COMPND   3 CHAIN: NULL;
COMPND   4 SYNONYM: RELATED PROTEIN 2 LIPASE;
COMPND   5 EC: 3.1.1.3;
COMPND   6 ENGINEERED: YES;
COMPND   7 MUTATION: DOMAIN EXCHANGE (C-TERMINUS, RESIDUES 336 - 449)
COMPND   8 WITH HUMAN PANCREATIC LIPASE
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: CAVIA PORCELLUS;
SOURCE   3 ORGANISM_COMMON: GUINEA PIG;
SOURCE   4 EXPRESSION_SYSTEM: SF9 CELLS;
SOURCE   5 EXPRESSION_SYSTEM_VECTOR: BACULOVIRUS;
SOURCE   6 EXPRESSION_SYSTEM_PLASMID: PVL1393
KEYWDS    SERINE ESTERASE, HYDROLASE, LIPID DEGRADATION, PANCREAS,
KEYWDS   2 GLYCOPROTEIN, CHIMERIC
EXPDTA    X-RAY DIFFRACTION
AUTHOR    C.WITHERS-MARTINEZ,C.CAMBILLAU
REVDAT   1   12-FEB-97 1GPL    0
JRNL        AUTH   C.WITHERS-MARTINEZ,F.CARRIERE,R.VERGER,D.BOURGEOIS,
JRNL        AUTH 2 C.CAMBILLAU
JRNL        TITL   A PANCREATIC LIPASE WITH A PHOSPHOLIPASE A1
JRNL        TITL 2 ACTIVITY: CRYSTAL STRUCTURE OF A CHIMERIC PLRP2
JRNL        TITL 3 FROM GUINEA PIG
JRNL        REF    TO BE PUBLISHED   REF NOW ASSIGNED AS
JRNL        REFN                                                  0353
REMARK   1
REMARK   1 REFERENCE 1
REMARK   1  AUTH   K.THIRSTRUP,R.VERGER,F.CARRIERE
REMARK   1  TITL   EVIDENCE FOR A PANCREATIC LIPASE SUBFAMILY WITH NEW
REMARK   1  TITL 2 KINETIC PROPERTIES
REMARK   1  REF    BIOCHEMISTRY                  V.  33  2748 1994
REMARK   1  REFN   ASTM BICHAW  US ISSN 0006-2960                 0033
REMARK   1 REFERENCE 2
REMARK   1  AUTH   F.CARRIERE,K.THIRSTRUP,E.BOEL,R.VERGER,L.THIM
REMARK   1  TITL   STRUCTURE-FUNCTION RELATIONSHIPS IN NATURALLY
REMARK   1  TITL 2 OCCURRING MUTANTS OF PANCREATIC LIPASE
REMARK   1  REF    PROTEIN ENG.                  V.   7   563 1994
REMARK   1  REFN   ASTM PRENE9  UK ISSN 0269-2139                 0859
REMARK   1 REFERENCE 3
REMARK   1  AUTH   A.HJORTH,F.CARRIERE,C.CUDREY,H.WOLDIKE,E.BOEL,
REMARK   1  AUTH 2 D.M.LAWSON,F.FERRATO,C.CAMBILLAU,G.G.DODSON,L.THIM,
REMARK   1  AUTH 3 ET AL.
REMARK   1  TITL   A STRUCTURAL DOMAIN (THE LID) FOUND IN PANCREATIC
REMARK   1  TITL 2 LIPASES IS ABSENT IN THE GUINEA PIG (PHOSPHO)LIPASE
REMARK   1  REF    BIOCHEMISTRY                  V.  32  4702 1993
REMARK   1  REFN   ASTM BICHAW  US ISSN 0006-2960                 0033
REMARK   2
REMARK   2 RESOLUTION. 2.1  ANGSTROMS.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : X-PLOR
REMARK   3   AUTHORS     : BRUNGER
REMARK   3
REMARK   3  DATA USED IN REFINEMENT.
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.01
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 6.0
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 2.
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : NULL
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : NULL
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : NULL
REMARK   3   NUMBER OF REFLECTIONS             : 23574
REMARK   3
REMARK   3  FIT TO DATA USED IN REFINEMENT.
REMARK   3   CROSS-VALIDATION METHOD          : NULL
REMARK   3   FREE R VALUE TEST SET SELECTION  : NULL
REMARK   3   R VALUE            (WORKING SET) : 0.188
REMARK   3   FREE R VALUE                     : 0.246
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : NULL
REMARK   3   FREE R VALUE TEST SET COUNT      : NULL
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            : 4121
REMARK   3   NUCLEIC ACID ATOMS       : 0
REMARK   3   HETEROGEN ATOMS          : 1
REMARK   3   SOLVENT ATOMS            : 245
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) : 0.013
REMARK   3   BOND ANGLES            (DEGREES) : 1.67
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  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  PARAMETER FILE  2  : NULL
REMARK   3  TOPOLOGY FILE  1   : NULL
REMARK   3  TOPOLOGY FILE  2   : NULL
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS:
REMARK   3   FINAL RMS COORD. SHIFT     0.01  ANGSTROMS
REMARK   3   MEAN B VALUE         (MAIN, A**2) : 25.9
REMARK   3   MEAN B VALUE         (SIDE, A**2) : 29.5
REMARK   3   MEAN B VALUE      (SOLVENT, A**2) : 42.6
REMARK   4
REMARK   4 1GPL COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996
REMARK   6
REMARK   6 THE C-TERMINAL DOMAIN OF GPLRP2 (336  - 449) HAS BEEN
REMARK   6 REPLACED BY THE C-TERMINAL DOMAIN OF HPL BY MUTAGENESIS
REMARK   6 EXPERIMENTS.
REMARK   7
REMARK   7 REGION 207 - 214 IS DISORDERED AND MODELLED
REMARK   7 STEREOCHEMICALLY, BASED ON HUMAN PANCREATIC LIPASE (HPL)
REMARK   7 STRUCTURE.  OCCUPATION OF THESE RESIDUES HAS BEEN SET TO
REMARK   7 0.0.
REMARK   8
REMARK   8 THE SHORT LOOP CONTAINED BETWEEN THE TWO SIDES OF THE
REMARK   8 DISULFIDE BRIDGE (CYS 4 - CYS 10) PRESENTS IN THE TURN A
REMARK   8 SER CLOSE TO THE EPSILON CONFORMATION.
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : NULL
REMARK 200  TEMPERATURE           (KELVIN) : NULL
REMARK 200  PH                             : NULL
REMARK 200  NUMBER OF CRYSTALS USED        : NULL
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : N; Y; Y
REMARK 200  RADIATION SOURCE               : NULL
REMARK 200  BEAMLINE                       : NULL
REMARK 200  X-RAY GENERATOR MODEL          : NULL
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M; M; M
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418; 0.9; 0.9
REMARK 200  MONOCHROMATOR                  : NULL
REMARK 200  OPTICS                         : NULL
REMARK 200
REMARK 200  DETECTOR TYPE                  : 18 CM IMAGE PLATE;
REMARK 200                                   30 CM IMAGE PLATE;
REMARK 200                                   30 CM CCD PLATE
REMARK 200  DETECTOR MANUFACTURER          : MARRESEARCH; MARRESEARCH;
REMARK 200                                   NULL
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO; DENZO; DENZO
REMARK 200  DATA SCALING SOFTWARE          : NULL
REMARK 200
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 27079; NULL; NULL
REMARK 200  RESOLUTION RANGE HIGH      (A) : NULL
REMARK 200  RESOLUTION RANGE LOW       (A) : NULL
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : 1.; NULL; NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : 92.6; NULL; NULL
REMARK 200  DATA REDUNDANCY                : 3.5; 1.2; 1.8
REMARK 200  R MERGE                    (I) : 0.113; 0.049; 0.040
REMARK 200  R SYM                      (I) : NULL
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : NULL
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : NULL
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : NULL
REMARK 200  COMPLETENESS FOR SHELL     (%) : NULL
REMARK 200  DATA REDUNDANCY IN SHELL       : NULL
REMARK 200  R MERGE FOR SHELL          (I) : NULL
REMARK 200  R SYM FOR SHELL            (I) : NULL
REMARK 200  <I/SIGMA(I)> FOR SHELL         : NULL
REMARK 200
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: NULL
REMARK 200 SOFTWARE USED: NULL
REMARK 200 STARTING MODEL: NULL
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS   (%): 53.
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): NULL
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: NULL
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: C 1 2 1
REMARK 290
REMARK 290      SYMOP   SYMMETRY
REMARK 290     NNNMMM   OPERATOR
REMARK 290       1555   X,Y,Z
REMARK 290       2555   -X,Y,-Z
REMARK 290       3555   1/2+X,1/2+Y,Z
REMARK 290       4555   1/2-X,1/2+Y,-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        0.00000
REMARK 290   SMTRY2   2  0.000000  1.000000  0.000000        0.00000
REMARK 290   SMTRY3   2  0.000000  0.000000 -1.000000        0.00000
REMARK 290   SMTRY1   3  1.000000  0.000000  0.000000       31.00006
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       27.95014
REMARK 290   SMTRY3   3  0.000000  0.000000  1.000000        0.00000
REMARK 290   SMTRY1   4 -1.000000  0.000000  0.000000       31.00006
REMARK 290   SMTRY2   4  0.000000  1.000000  0.000000       27.95014
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000
REMARK 290
REMARK 290 REMARK: NULL
REMARK 525
REMARK 525 SOLVENT
REMARK 525 THE FOLLOWING SOLVENT MOLECULES LIE FARTHER THAN EXPECTED
REMARK 525 FROM THE PROTEIN OR NUCLEIC ACID MOLECULE AND MAY BE
REMARK 525 ASSOCIATED WITH A SYMMETRY RELATED MOLECULE (M=MODEL
REMARK 525 NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; SSEQ=SEQUENCE
REMARK 525 NUMBER; I=INSERTION CODE):
REMARK 525
REMARK 525  M RES CSSEQI
REMARK 525  0 HOH   623      DISTANCE =  5.08 ANGSTROMS
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: CAT
REMARK 800 SITE_DESCRIPTION: CATALYTIC TRIAD.  THE NUCLEOPHILE SER 152
REMARK 800 IS LOCATED IN A BETA TURN AND HAS AN EPSILON CONFORMATION,
REMARK 800 COMMON FEATURE OF SERINE HYDROLASES.
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 1GPL       SWS     P16233       1 -   353 NOT IN ATOMS LIST
REMARK 999
REMARK 999 THE GUINEA PIG SEQUENCE WAS PUBLISHED IN A.HJORTH ET AL.,
REMARK 999 BIOCHEMISTRY 32, 4702-4707 (1993).
DBREF  1GPL      1   336  PDB    1GPL     1GPL             1    336
DBREF  1GPL    337   449  SWS    P16233   LIPP_HUMAN     354    465
SEQRES   1    432  ALA GLU VAL CYS TYR SER HIS LEU GLY CYS PHE SER ASP
SEQRES   2    432  GLU LYS PRO TRP ALA GLY THR SER GLN ARG PRO ILE LYS
SEQRES   3    432  SER LEU PRO SER ASP PRO LYS LYS ILE ASN THR ARG PHE
SEQRES   4    432  LEU LEU TYR THR ASN GLU ASN GLN ASN SER TYR GLN LEU
SEQRES   5    432  ILE THR ALA THR ASP ILE ALA THR ILE LYS ALA SER ASN
SEQRES   6    432  PHE ASN LEU ASN ARG LYS THR ARG PHE ILE ILE HIS GLY
SEQRES   7    432  PHE THR ASP SER GLY GLU ASN SER TRP LEU SER ASP MET
SEQRES   8    432  CYS LYS ASN MET PHE GLN VAL GLU LYS VAL ASN CYS ILE
SEQRES   9    432  CYS VAL ASP TRP LYS GLY GLY SER LYS ALA GLN TYR SER
SEQRES  10    432  GLN ALA SER GLN ASN ILE ARG VAL VAL GLY ALA GLU VAL
SEQRES  11    432  ALA TYR LEU VAL GLN VAL LEU SER THR SER LEU ASN TYR
SEQRES  12    432  ALA PRO GLU ASN VAL HIS ILE ILE GLY HIS SER LEU GLY
SEQRES  13    432  ALA HIS THR ALA GLY GLU ALA GLY LYS ARG LEU ASN GLY
SEQRES  14    432  LEU VAL GLY ARG ILE THR GLY LEU ASP PRO ALA GLU PRO
SEQRES  15    432  TYR PHE GLN ASP THR PRO GLU GLU VAL ARG LEU ASP PRO
SEQRES  16    432  SER ASP ALA LYS PHE VAL ASP VAL ILE HIS THR ASP ILE
SEQRES  17    432  SER PRO ILE LEU PRO SER LEU GLY PHE GLY MET SER GLN
SEQRES  18    432  LYS VAL GLY HIS MET ASP PHE PHE PRO ASN GLY GLY LYS
SEQRES  19    432  ASP MET PRO GLY CYS LYS THR GLY ILE SER CYS ASN HIS
SEQRES  20    432  HIS ARG SER ILE GLU TYR TYR HIS SER SER ILE LEU ASN
SEQRES  21    432  PRO GLU GLY PHE LEU GLY TYR PRO CYS ALA SER TYR ASP
SEQRES  22    432  GLU PHE GLN GLU SER GLY CYS PHE PRO CYS PRO ALA LYS
SEQRES  23    432  GLY CYS PRO LYS MET GLY HIS PHE ALA ASP GLN TYR PRO
SEQRES  24    432  GLY LYS THR ASN ALA VAL GLU GLN THR PHE PHE LEU ASN
SEQRES  25    432  THR GLY ALA SER ASP ASN PHE THR ARG TRP ARG TYR LYS
SEQRES  26    432  VAL SER VAL THR LEU SER GLY LYS LYS VAL THR GLY HIS
SEQRES  27    432  ILE LEU VAL SER LEU PHE GLY ASN LYS GLY ASN SER LYS
SEQRES  28    432  GLN TYR GLU ILE PHE LYS GLY THR LEU LYS PRO ASP SER
SEQRES  29    432  THR HIS SER ASN GLU PHE ASP SER ASP VAL ASP VAL GLY
SEQRES  30    432  ASP LEU GLN MET VAL LYS PHE ILE TRP TYR ASN ASN VAL
SEQRES  31    432  ILE ASN PRO THR LEU PRO ARG VAL GLY ALA SER LYS ILE
SEQRES  32    432  ILE VAL GLU THR ASN VAL GLY LYS GLN PHE ASN PHE CYS
SEQRES  33    432  SER PRO GLU THR VAL ARG GLU GLU VAL LEU LEU THR LEU
SEQRES  34    432  THR PRO CYS
HET     CA    500       1
HETNAM      CA CALCIUM ION
FORMUL   2   CA    CA1 2+
FORMUL   3  HOH   *247(H2 O1)
HELIX    1   1 SER      6  LEU      8  5                                   3
HELIX    2   2 PRO     31  ILE     34  1                                   4
HELIX    3   3 ILE     56  ALA     61  1                                   6
HELIX    4   4 SER     84  VAL     96  1                                  13
HELIX    5   5 LYS    107  SER    110  1                                   4
HELIX    6   6 TYR    114  LEU    139  1                                  26
HELIX    7   7 PRO    143  ASN    145  5                                   3
HELIX    8   8 SER    152  ARG    164  5                                  13
HELIX    9   9 PRO    193  ASP    195  5                                   3
HELIX   10  10 ILE    209  SER    212  1                                   4
HELIX   11  11 PRO    228  GLY    231  5                                   4
HELIX   12  12 CYS    261  ILE    274  1                                  14
HELIX   13  13 PRO    277  PHE    280  5                                   4
HELIX   14  14 TYR    288  GLN    292  1                                   5
HELIX   15  15 ALA    311  GLN    313  5                                   3
SHEET    1   A 2 GLU     2  TYR     5  0
SHEET    2   A 2 GLY     9  SER    12 -1  N  PHE    11   O  VAL     3
SHEET    1   B 9 GLN    50  ILE    52  0
SHEET    2   B 9 ARG    37  THR    42 -1  N  LEU    40   O  GLN    50
SHEET    3   B 9 VAL    99  ASP   105 -1  N  ASP   105   O  ARG    37
SHEET    4   B 9 LYS    69  ILE    74  1  N  LYS    69   O  ASN   100
SHEET    5   B 9 VAL   146  HIS   151  1  N  HIS   147   O  THR    70
SHEET    6   B 9 ARG   171  LEU   175  1  N  ARG   171   O  ILE   148
SHEET    7   B 9 PHE   198  ILE   202  1  N  PHE   198   O  ILE   172
SHEET    8   B 9 MET   224  PRO   228  1  N  MET   224   O  VAL   201
SHEET    9   B 9 GLN   323  LEU   327  1  N  GLN   323   O  ASP   225
SHEET    1   C 4 THR   381  SER   388  0
SHEET    2   C 4 TRP   338  GLY   348 -1  N  VAL   344   O  HIS   382
SHEET    3   C 4 VAL   415  GLU   423 -1  N  GLU   423   O  LYS   341
SHEET    4   C 4 GLN   429  CYS   433 -1  N  PHE   432   O  ILE   420
SHEET    1   D 4 LEU   444  LEU   446  0
SHEET    2   D 4 LEU   395  ASN   404 -1  N  PHE   400   O  LEU   444
SHEET    3   D 4 VAL   351  GLY   361 -1  N  PHE   360   O  GLN   396
SHEET    4   D 4 GLN   368  LEU   376 -1  N  LEU   376   O  VAL   351
SSBOND   1 CYS      4    CYS     10
SSBOND   2 CYS     90    CYS    101
SSBOND   3 CYS    237    CYS    261
SSBOND   4 CYS    285    CYS    296
SSBOND   5 CYS    299    CYS    304
SSBOND   6 CYS    433    CYS    449
LINK        CA    CA   500                 O   GLU   187
LINK        CA    CA   500                 OD1 ASP   192
CISPEP   1 LYS     15    PRO     16          0         1.10
CISPEP   2 LEU    210    PRO    211          0         0.98
CISPEP   3 PHE    297    PRO    298          0         0.24
SITE     1 CAT  3 SER   152  ASP   176  HIS   263
CRYST1   62.000   55.900  144.000  90.00  93.20  90.00 C 1 2 1       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      0.016129  0.000000  0.000902        0.00000
SCALE2      0.000000  0.017889  0.000000        0.00000
SCALE3      0.000000  0.000000  0.006955        0.00000