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LongText Report for: 1AC5-pdb

Name Class
1AC5-pdb
HEADER    CARBOXYPEPTIDASE                        13-FEB-97   1AC5
TITLE     CRYSTAL STRUCTURE OF KEX1(DELTA)P, A PROHORMONE-PROCESSING
TITLE    2 CARBOXYPEPTIDASE FROM SACCHAROMYCES CEREVISIAE
COMPND    MOL_ID: 1;
COMPND   2 MOLECULE: KEX1(DELTA)P;
COMPND   3 CHAIN: NULL;
COMPND   4 EC: 3.4.16.6
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE   3 ORGANISM_COMMON: YEAST
KEYWDS    CARBOXYPEPTIDASE, HYDROLASE, GLYCOPROTEIN, TRANSMEMBRANE
EXPDTA    X-RAY DIFFRACTION
AUTHOR    B.H.SHILTON,D.Y.THOMAS,M.CYGLER
REVDAT   1   15-MAY-97 1AC5    0
REMARK   1
REMARK   1 REFERENCE 1
REMARK   1  AUTH   B.H.SHILTON,Y.LI,D.TESSIER,D.Y.THOMAS,M.CYGLER
REMARK   1  TITL   CRYSTALLIZATION OF A SOLUBLE FORM OF THE KEX1P
REMARK   1  TITL 2 SERINE CARBOXYPEPTIDASE FROM SACCHAROMYCES
REMARK   1  TITL 3 CEREVISIAE
REMARK   1  REF    PROTEIN SCI.                  V.   5   395 1996
REMARK   1  REFN   ASTM PRCIEI  US ISSN 0961-8368                 0795
REMARK   1 REFERENCE 2
REMARK   1  AUTH   L.LATCHINIAN-SADEK,D.Y.THOMAS
REMARK   1  TITL   SECRETION, PURIFICATION AND CHARACTERIZATION OF A
REMARK   1  TITL 2 SOLUBLE FORM OF THE YEAST KEX1-ENCODED PROTEIN FROM
REMARK   1  TITL 3 INSECT-CELL CULTURES
REMARK   1  REF    EUR.J.BIOCHEM.                V. 219   647 1994
REMARK   1  REFN   ASTM EJBCAI  IX ISSN 0014-2956                 0262
REMARK   2
REMARK   2 RESOLUTION. 2.4  ANGSTROMS.
REMARK   3
REMARK   3 REFINEMENT.
REMARK   3   PROGRAM     : X-PLOR 3.8
REMARK   3   AUTHORS     : BRUNGER
REMARK   3
REMARK   3  DATA USED IN REFINEMENT.
REMARK   3   RESOLUTION RANGE HIGH (ANGSTROMS) : 2.4
REMARK   3   RESOLUTION RANGE LOW  (ANGSTROMS) : 40.0
REMARK   3   DATA CUTOFF            (SIGMA(F)) : 0.0
REMARK   3   DATA CUTOFF HIGH         (ABS(F)) : 1000000.00
REMARK   3   DATA CUTOFF LOW          (ABS(F)) : 0.001
REMARK   3   COMPLETENESS (WORKING+TEST)   (%) : 97.0
REMARK   3   NUMBER OF REFLECTIONS             : 20663
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) : 0.195
REMARK   3   FREE R VALUE                     : 0.250
REMARK   3   FREE R VALUE TEST SET SIZE   (%) : 9.9
REMARK   3   FREE R VALUE TEST SET COUNT      : 2018
REMARK   3   ESTIMATED ERROR OF FREE R VALUE  : 0.006
REMARK   3
REMARK   3  FIT IN THE HIGHEST RESOLUTION BIN.
REMARK   3   TOTAL NUMBER OF BINS USED           : 20
REMARK   3   BIN RESOLUTION RANGE HIGH       (A) : 2.40
REMARK   3   BIN RESOLUTION RANGE LOW        (A) : 2.44
REMARK   3   BIN COMPLETENESS (WORKING+TEST) (%) : 86.7
REMARK   3   REFLECTIONS IN BIN    (WORKING SET) : 787
REMARK   3   BIN R VALUE           (WORKING SET) : 0.254
REMARK   3   BIN FREE R VALUE                    : 0.338
REMARK   3   BIN FREE R VALUE TEST SET SIZE  (%) : 9.9
REMARK   3   BIN FREE R VALUE TEST SET COUNT     : 101
REMARK   3   ESTIMATED ERROR OF BIN FREE R VALUE : 0.034
REMARK   3
REMARK   3  NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT.
REMARK   3   PROTEIN ATOMS            : 3757
REMARK   3   NUCLEIC ACID ATOMS       : 0
REMARK   3   HETEROGEN ATOMS          : 42
REMARK   3   SOLVENT ATOMS            : 258
REMARK   3
REMARK   3  B VALUES.
REMARK   3   FROM WILSON PLOT           (A**2) : 25.8
REMARK   3   MEAN B VALUE      (OVERALL, A**2) : 21.5
REMARK   3   OVERALL ANISOTROPIC B VALUE.
REMARK   3    B11 (A**2) : -22.92
REMARK   3    B22 (A**2) : 1.74
REMARK   3    B33 (A**2) : 2.51
REMARK   3    B12 (A**2) : 0.0
REMARK   3    B13 (A**2) : 0.0
REMARK   3    B23 (A**2) : 0.0
REMARK   3
REMARK   3  ESTIMATED COORDINATE ERROR.
REMARK   3   ESD FROM LUZZATI PLOT        (A) : 0.28
REMARK   3   ESD FROM SIGMAA              (A) : 0.24
REMARK   3   LOW RESOLUTION CUTOFF        (A) : 5.0
REMARK   3
REMARK   3  CROSS-VALIDATED ESTIMATED COORDINATE ERROR.
REMARK   3   ESD FROM C-V LUZZATI PLOT    (A) : 0.34
REMARK   3   ESD FROM C-V SIGMAA          (A) : 0.27
REMARK   3
REMARK   3  RMS DEVIATIONS FROM IDEAL VALUES.
REMARK   3   BOND LENGTHS                 (A) : 0.006
REMARK   3   BOND ANGLES            (DEGREES) : 1.245
REMARK   3   DIHEDRAL ANGLES        (DEGREES) : 24.9
REMARK   3   IMPROPER ANGLES        (DEGREES) : 1.06
REMARK   3
REMARK   3  ISOTROPIC THERMAL MODEL : RESTRAINED
REMARK   3
REMARK   3  ISOTROPIC THERMAL FACTOR RESTRAINTS.    RMS    SIGMA
REMARK   3   MAIN-CHAIN BOND              (A**2) : 1.33  ; 1.50
REMARK   3   MAIN-CHAIN ANGLE             (A**2) : 1.76  ; 2.00
REMARK   3   SIDE-CHAIN BOND              (A**2) : 2.37  ; 2.00
REMARK   3   SIDE-CHAIN ANGLE             (A**2) : 2.84  ; 2.50
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  : PARHCSDX.PRO
REMARK   3  PARAMETER FILE  2  : PARAM19.SOL
REMARK   3  PARAMETER FILE  3  : PARAM3.CHO
REMARK   3  TOPOLOGY FILE  1   : TOPHCSDX.PRO
REMARK   3  TOPOLOGY FILE  2   : TOPH3.CHO
REMARK   3  TOPOLOGY FILE  3   : TOPH19.SOL
REMARK   3
REMARK   3  OTHER REFINEMENT REMARKS: X-PLOR BULK SOLVENT MODEL USED
REMARK   4
REMARK   4 1AC5 COMPLIES WITH FORMAT V. 2.2, 16-DEC-1996
REMARK 200
REMARK 200 EXPERIMENTAL DETAILS
REMARK 200  EXPERIMENT TYPE                : X-RAY DIFFRACTION
REMARK 200  DATE OF DATA COLLECTION        : JUN-1995
REMARK 200  TEMPERATURE           (KELVIN) : 120
REMARK 200  PH                             : 6.5
REMARK 200  NUMBER OF CRYSTALS USED        : 1
REMARK 200
REMARK 200  SYNCHROTRON              (Y/N) : N
REMARK 200  RADIATION SOURCE               : NULL
REMARK 200  BEAMLINE                       : NULL
REMARK 200  X-RAY GENERATOR MODEL          : RIGAKU RU300
REMARK 200  MONOCHROMATIC OR LAUE    (M/L) : M
REMARK 200  WAVELENGTH OR RANGE        (A) : 1.5418
REMARK 200  MONOCHROMATOR                  : GRAPHITE CRYSTAL
REMARK 200  OPTICS                         : COLLIMATOR
REMARK 200
REMARK 200  DETECTOR TYPE                  : R-AXIS II IMAGE PLATE
REMARK 200  DETECTOR MANUFACTURER          : RIGAKU
REMARK 200  INTENSITY-INTEGRATION SOFTWARE : DENZO
REMARK 200  DATA SCALING SOFTWARE          : SCALEPACK
REMARK 200
REMARK 200  NUMBER OF UNIQUE REFLECTIONS   : 20693
REMARK 200  RESOLUTION RANGE HIGH      (A) : 2.4
REMARK 200  RESOLUTION RANGE LOW       (A) : 40.0
REMARK 200  REJECTION CRITERIA  (SIGMA(I)) : NULL
REMARK 200
REMARK 200 OVERALL.
REMARK 200  COMPLETENESS FOR RANGE     (%) : 96.9
REMARK 200  DATA REDUNDANCY                : 5.1
REMARK 200  R MERGE                    (I) : 0.051
REMARK 200  R SYM                      (I) : NULL
REMARK 200  <I/SIGMA(I)> FOR THE DATA SET  : 18.1
REMARK 200
REMARK 200 IN THE HIGHEST RESOLUTION SHELL.
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.40
REMARK 200  HIGHEST RESOLUTION SHELL, RANGE LOW  (A) : 2.46
REMARK 200  COMPLETENESS FOR SHELL     (%) : 90.0
REMARK 200  DATA REDUNDANCY IN SHELL       : 4.2
REMARK 200  R MERGE FOR SHELL          (I) : 0.154
REMARK 200  R SYM FOR SHELL            (I) : NULL
REMARK 200  <I/SIGMA(I)> FOR SHELL         : 6.
REMARK 200
REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: MIR, MOLECULAR
REMARK 200                                         REPLACEMENT
REMARK 200 SOFTWARE USED: AMORE, MLPHARE, OTHER CCP4 PROGRAMS
REMARK 200 STARTING MODEL: PDB ENTRY 3SC2
REMARK 200
REMARK 200 REMARK: NULL
REMARK 280
REMARK 280 CRYSTAL
REMARK 280 SOLVENT CONTENT, VS   (%): 50.
REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.5
REMARK 280
REMARK 280 CRYSTALLIZATION CONDITIONS: PROTEIN WAS CRYSTALLIZED FROM
REMARK 280 17% PEG-MME 5000, 400 MM AMMONIUM ACETATE, 5% GLYCEROL,
REMARK 280 10 MM SODIUM AZIDE, PH 6.5.
REMARK 290
REMARK 290 CRYSTALLOGRAPHIC SYMMETRY
REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: P 21 21 21
REMARK 290
REMARK 290      SYMOP   SYMMETRY
REMARK 290     NNNMMM   OPERATOR
REMARK 290       1555   X,Y,Z
REMARK 290       2555   1/2-X,-Y,1/2+Z
REMARK 290       3555   -X,1/2+Y,1/2-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       28.57470
REMARK 290   SMTRY2   2  0.000000 -1.000000  0.000000        0.00000
REMARK 290   SMTRY3   2  0.000000  0.000000  1.000000       55.55556
REMARK 290   SMTRY1   3 -1.000000  0.000000  0.000000        0.00000
REMARK 290   SMTRY2   3  0.000000  1.000000  0.000000       41.52479
REMARK 290   SMTRY3   3  0.000000  0.000000 -1.000000       55.55556
REMARK 290   SMTRY1   4  1.000000  0.000000  0.000000       28.57470
REMARK 290   SMTRY2   4  0.000000 -1.000000  0.000000       41.52479
REMARK 290   SMTRY3   4  0.000000  0.000000 -1.000000        0.00000
REMARK 290
REMARK 290 REMARK: NULL
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     ASP    40    CG   OD1  OD2
REMARK 470     ASP    42    CG   OD1  OD2
REMARK 470     GLU    43    CG   CD   OE1  OE2
REMARK 470     GLN    44    CG   CD   OE1  NE2
REMARK 470     ASP    45    CG   OD1  OD2
REMARK 470     ASN    59    CG   OD1  ND2
REMARK 470     ASP    60    CG   OD1  OD2
REMARK 470     SER    61    OG
REMARK 470     ASN    62    CG   OD1  ND2
REMARK 470     ASN    64    CG   OD1  ND2
REMARK 470     VAL    65    CG1  CG2
REMARK 470     PHE   195    CG   CD1  CE1  CZ   CE2  CD2
REMARK 470     SER   196    OG
REMARK 470     LYS   197    CG   CD   CE   NZ
REMARK 470     ASP   199    CG   OD1  OD2
REMARK 470     LYS   288    CG   CD   CE   NZ
REMARK 470     ASP   473    CG   OD1  OD2
REMARK 470     ASN   474    CG   OD1  ND2
REMARK 470     ASN   475    CG   OD1  ND2
REMARK 470     LYS   477    CG   CD   CE   NZ
REMARK 470     ASN   478    CG   OD1  ND2
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.  SOME OF THESE MAY BE ATOMS
REMARK 500 LOCATED ON SPECIAL POSITIONS IN THE CELL.  ATOMS WITH
REMARK 500 NON-BLANK ALTERNATE LOCATION INDICATORS ARE NOT INCLUDED
REMARK 500 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   HG   SER     259     H    LYS     314     3545     1.22
REMARK 500   H    LYS     314     HG   SER     259     3555     1.22
REMARK 600
REMARK 600 HETEROGEN
REMARK 600 NAG 900 IS COVALENTLY ATTACHED TO ASN 445.
REMARK 600 NAG 901 IS COVALENTLY ATTACHED TO ASN 437.
REMARK 600 NAG 902 IS COVALENTLY ATTACHED TO NAG 901.
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: 176
REMARK 800 SITE_DESCRIPTION: MEMBER OF CATALYTIC TRIAD.
REMARK 800
REMARK 800 SITE_IDENTIFIER: 383
REMARK 800 SITE_DESCRIPTION: MEMBER OF CATALYTIC TRIAD.
REMARK 800
REMARK 800 SITE_IDENTIFIER: 448
REMARK 800 SITE_DESCRIPTION: MEMBER OF CATALYTIC TRIAD.
REMARK 999
REMARK 999 SEQUENCE
REMARK 999 1AC5       SWS     P09620       1 -    22 NOT IN ATOMS LIST
REMARK 999 1AC5       SWS     P09620     506 -   729 NOT IN ATOMS LIST
DBREF  1AC5      1   483  SWS    P09620   KEX1_YEAST      23    505
SEQRES   1    483  LEU PRO SER SER GLU GLU TYR LYS VAL ALA TYR GLU LEU
SEQRES   2    483  LEU PRO GLY LEU SER GLU VAL PRO ASP PRO SER ASN ILE
SEQRES   3    483  PRO GLN MET HIS ALA GLY HIS ILE PRO LEU ARG SER GLU
SEQRES   4    483  ASP ALA ASP GLU GLN ASP SER SER ASP LEU GLU TYR PHE
SEQRES   5    483  PHE TRP LYS PHE THR ASN ASN ASP SER ASN GLY ASN VAL
SEQRES   6    483  ASP ARG PRO LEU ILE ILE TRP LEU ASN GLY GLY PRO GLY
SEQRES   7    483  CYS SER SER MET ASP GLY ALA LEU VAL GLU SER GLY PRO
SEQRES   8    483  PHE ARG VAL ASN SER ASP GLY LYS LEU TYR LEU ASN GLU
SEQRES   9    483  GLY SER TRP ILE SER LYS GLY ASP LEU LEU PHE ILE ASP
SEQRES  10    483  GLN PRO THR GLY THR GLY PHE SER VAL GLU GLN ASN LYS
SEQRES  11    483  ASP GLU GLY LYS ILE ASP LYS ASN LYS PHE ASP GLU ASP
SEQRES  12    483  LEU GLU ASP VAL THR LYS HIS PHE MET ASP PHE LEU GLU
SEQRES  13    483  ASN TYR PHE LYS ILE PHE PRO GLU ASP LEU THR ARG LYS
SEQRES  14    483  ILE ILE LEU SER GLY GLU SER TYR ALA GLY GLN TYR ILE
SEQRES  15    483  PRO PHE PHE ALA ASN ALA ILE LEU ASN HIS ASN LYS PHE
SEQRES  16    483  SER LYS ILE ASP GLY ASP THR TYR ASP LEU LYS ALA LEU
SEQRES  17    483  LEU ILE GLY ASN GLY TRP ILE ASP PRO ASN THR GLN SER
SEQRES  18    483  LEU SER TYR LEU PRO PHE ALA MET GLU LYS LYS LEU ILE
SEQRES  19    483  ASP GLU SER ASN PRO ASN PHE LYS HIS LEU THR ASN ALA
SEQRES  20    483  HIS GLU ASN CYS GLN ASN LEU ILE ASN SER ALA SER THR
SEQRES  21    483  ASP GLU ALA ALA HIS PHE SER TYR GLN GLU CYS GLU ASN
SEQRES  22    483  ILE LEU ASN LEU LEU LEU SER TYR THR ARG GLU SER SER
SEQRES  23    483  GLN LYS GLY THR ALA ASP CYS LEU ASN MET TYR ASN PHE
SEQRES  24    483  ASN LEU LYS ASP SER TYR PRO SER CYS GLY MET ASN TRP
SEQRES  25    483  PRO LYS ASP ILE SER PHE VAL SER LYS PHE PHE SER THR
SEQRES  26    483  PRO GLY VAL ILE ASP SER LEU HIS LEU ASP SER ASP LYS
SEQRES  27    483  ILE ASP HIS TRP LYS GLU CYS THR ASN SER VAL GLY THR
SEQRES  28    483  LYS LEU SER ASN PRO ILE SER LYS PRO SER ILE HIS LEU
SEQRES  29    483  LEU PRO GLY LEU LEU GLU SER GLY ILE GLU ILE VAL LEU
SEQRES  30    483  PHE ASN GLY ASP LYS ASP LEU ILE CYS ASN ASN LYS GLY
SEQRES  31    483  VAL LEU ASP THR ILE ASP ASN LEU LYS TRP GLY GLY ILE
SEQRES  32    483  LYS GLY PHE SER ASP ASP ALA VAL SER PHE ASP TRP ILE
SEQRES  33    483  HIS LYS SER LYS SER THR ASP ASP SER GLU GLU PHE SER
SEQRES  34    483  GLY TYR VAL LYS TYR ASP ARG ASN LEU THR PHE VAL SER
SEQRES  35    483  VAL TYR ASN ALA SER HIS MET VAL PRO PHE ASP LYS SER
SEQRES  36    483  LEU VAL SER ARG GLY ILE VAL ASP ILE TYR SER ASN ASP
SEQRES  37    483  VAL MET ILE ILE ASP ASN ASN GLY LYS ASN VAL MET ILE
SEQRES  38    483  THR THR
HET    NAG    900      28
HET    NAG    901      27
HET    NAG    902      28
HETNAM     NAG N-ACETYL-D-GLUCOSAMINE
FORMUL   2  NAG    3(C8 H15 N1 O6)
FORMUL   3  HOH   *258(H2 O1)
HELIX    1   1 SER      4  GLU      6  5                                   3
HELIX    2   2 TYR     11  LEU     13  5                                   3
HELIX    3   3 ASN     62  ASN     64  5                                   3
HELIX    4   4 MET     82  VAL     87  1                                   6
HELIX    5   5 TRP    107  SER    109  5                                   3
HELIX    6   6 GLU    132  LYS    134  5                                   3
HELIX    7   7 LEU    144  ILE    161  1                                  18
HELIX    8   8 ASP    165  THR    167  5                                   3
HELIX    9   9 SER    176  PHE    195  5                                  20
HELIX   10  10 PRO    217  GLU    230  1                                  14
HELIX   11  11 PHE    241  SER    257  1                                  17
HELIX   12  12 ASP    261  ALA    264  5                                   4
HELIX   13  13 GLN    269  TYR    281  1                                  13
HELIX   14  14 LYS    314  PHE    323  5                                  10
HELIX   15  15 VAL    328  SER    331  1                                   4
HELIX   16  16 ASN    347  LYS    352  1                                   6
HELIX   17  17 SER    361  GLU    370  5                                  10
HELIX   18  18 ASN    388  ASP    396  1                                   9
HELIX   19  19 VAL    450  ASP    453  1                                   4
HELIX   20  20 SER    455  TYR    465  1                                  11
SHEET    1   A12 GLN    28  PRO    35  0
SHEET    2   A12 GLU    50  THR    57 -1  N  THR    57   O  GLN    28
SHEET    3   A12 GLY   111  ILE   116 -1  N  PHE   115   O  TRP    54
SHEET    4   A12 PRO    68  LEU    73  1  N  PRO    68   O  ASP   112
SHEET    5   A12 ILE   170  GLU   175  1  N  ILE   171   O  LEU    69
SHEET    6   A12 LEU   205  GLY   211  1  N  LYS   206   O  ILE   170
SHEET    7   A12 GLU   374  GLY   380  1  N  GLU   374   O  LEU   208
SHEET    8   A12 LEU   438  VAL   443  1  N  THR   439   O  ILE   375
SHEET    9   A12 GLY   430  ASP   435 -1  N  ASP   435   O  LEU   438
SHEET   10   A12 VAL   411  HIS   417 -1  N  TRP   415   O  GLY   430
SHEET   11   A12 LYS   477  THR   482  1  N  MET   480   O  ASP   414
SHEET   12   A12 MET   470  ASN   474 -1  N  ASN   474   O  LYS   477
SHEET    1   B 2 PHE    92  VAL    94  0
SHEET    2   B 2 LEU   100  LEU   102 -1  N  TYR   101   O  ARG    93
SSBOND   1 CYS     79    CYS    345
SSBOND   2 CYS    251    CYS    271
SSBOND   3 CYS    293    CYS    308
LINK         C1  NAG   900                 ND2 ASN   445
LINK         C1  NAG   901                 ND2 ASN   437
LINK         O4  NAG   901                 C1  NAG   902
CISPEP   1 GLY     76    PRO     77          0        -0.13
CISPEP   2 GLN    118    PRO    119          0        -1.49
CISPEP   3 TYR    305    PRO    306          0         0.00
CISPEP   4 TRP    312    PRO    313          0         0.20
SITE     1 176  1 SER   176
SITE     1 383  1 ASP   383
SITE     1 448  1 HIS   448
CRYST1   57.150   83.050  111.110  90.00  90.00  90.00 P 21 21 21    4
ORIGX1      1.000000  0.000000  0.000000        0.00000
ORIGX2      0.000000  1.000000  0.000000        0.00000
ORIGX3      0.000000  0.000000  1.000000        0.00000
SCALE1      0.017498  0.000000  0.000000        0.00000
SCALE2      0.000000  0.012041  0.000000        0.00000
SCALE3      0.000000  0.000000  0.009000        0.00000

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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