longtext: 1FAS-pdb

content
HEADER    TOXIN                                   07-AUG-92   1FAS      1FAS   2
COMPND    FASCICULIN 1                                                  1FAS   3
SOURCE    GREEN MAMBA (DENDROASPIS ANGUSTICEPS)                         1FAS   4
AUTHOR    M.H.LE DU,P.MARCHOT,P.E.BOUGIS,J.C.FONTECILLA-CAMPS           1FAS   5
REVDAT   1   31-OCT-93 1FAS    0                                        1FAS   6
REMARK   1                                                              1FAS   7
REMARK   1 REFERENCE 1                                                  1FAS   8
REMARK   1  AUTH   M.H.LE DU,P.MARCHOT,P.E.BOUGIS,J.C.FONTECILLA-CAMPS  1FAS   9
REMARK   1  TITL   1.9 ANGSTROM RESOLUTION STRUCTURE OF FASCICULIN 1,   1FAS  10
REMARK   1  TITL 2 AN ANTI-ACETYLCHOLINESTERASE TOXIN FROM GREEN MAMBA  1FAS  11
REMARK   1  TITL 3 SNAKE VENOM                                          1FAS  12
REMARK   1  REF    J.BIOL.CHEM.                  V. 267 22122 1992      1FAS  13
REMARK   1  REFN   ASTM JBCHA3  US ISSN 0021-9258                  071  1FAS  14
REMARK   1 REFERENCE 2                                                  1FAS  15
REMARK   1  AUTH   M.H.LE DU,P.MARCHOT,P.E.BOUGIS,J.C.FONTECILLA-CAMPS  1FAS  16
REMARK   1  TITL   CRYSTALS OF FASCICULIN 2 FROM GREEN MAMBA SNAKE      1FAS  17
REMARK   1  TITL 2 VENOM.  PREPARATION AND PRELIMINARY X-RAY ANALYSIS   1FAS  18
REMARK   1  REF    J.BIOL.CHEM.                  V. 264 21401 1989      1FAS  19
REMARK   1  REFN   ASTM JBCHA3  US ISSN 0021-9258                  071  1FAS  20
REMARK   2                                                              1FAS  21
REMARK   2 RESOLUTION. 1.8  ANGSTROMS.                                  1FAS  22
REMARK   3                                                              1FAS  23
REMARK   3 REFINEMENT.                                                  1FAS  24
REMARK   3   PROGRAM                    X-PLOR                          1FAS  25
REMARK   3   AUTHORS                    BRUNGER                         1FAS  26
REMARK   3   R VALUE                    0.149                           1FAS  27
REMARK   3   RMSD BOND DISTANCES        0.015  ANGSTROMS                1FAS  28
REMARK   3   RMSD BOND ANGLES           2.77   DEGREES                  1FAS  29
REMARK   3   RMSD DIHEDRAL ANGLES       26.23  DEGREES                  1FAS  30
REMARK   3   RMSD IMPROPER ANGLES       1.223  DEGREES                  1FAS  31
REMARK   3                                                              1FAS  32
REMARK   3   NUMBER OF REFLECTIONS      5346                            1FAS  33
REMARK   3   RESOLUTION RANGE       6.0 - 1.8  ANGSTROMS                1FAS  34
REMARK   3   DATA CUTOFF                501.0                           1FAS  35
REMARK   3   PERCENT COMPLETION         82.7                            1FAS  36
REMARK   4                                                              1FAS  37
REMARK   4 FASCICULIN 1 IS AN ANTICHOLINESTERASE TOXIN ISOLATED FROM    1FAS  38
REMARK   4 GREEN MAMBA (DENDROASPIS ANGUSTICEPS) SNAKE VENOM.           1FAS  39
SEQRES   1     61  THR MET CYS TYR SER HIS THR THR THR SER ARG ALA ILE  1FAS  40
SEQRES   2     61  LEU THR ASN CYS GLY GLU ASN SER CYS TYR ARG LYS SER  1FAS  41
SEQRES   3     61  ARG ARG HIS PRO PRO LYS MET VAL LEU GLY ARG GLY CYS  1FAS  42
SEQRES   4     61  GLY CYS PRO PRO GLY ASP ASP TYR LEU GLU VAL LYS CYS  1FAS  43
SEQRES   5     61  CYS THR SER PRO ASP LYS CYS ASN TYR                  1FAS  44
FTNOTE   1                                                              1FAS  45
FTNOTE   1 RESIDUES 31 AND 56 ARE CIS PROLINES.                         1FAS  46
FORMUL   2  HOH   *105(H2 O1)                                           1FAS  47
SHEET    1  AB 2 CYS     3  TYR     4  0                                1FAS  48
SHEET    2  AB 2 LEU    14  THR    15 -1  O  THR    15   N  CYS     3   1FAS  49
SHEET    1 DCE 3 VAL    34  CYS    39  0                                1FAS  50
SHEET    2 DCE 3 CYS    22  ARG    27 -1  N  TYR    23   O  GLY    38   1FAS  51
SHEET    3 DCE 3 LEU    48  CYS    53 -1  O  GLU    49   N  SER    26   1FAS  52
TURN     1  T2 CYS    17  ASN    20     TYPE I BEND                     1FAS  53
TURN     2  T3 ASP    45  LEU    48     TYPE NON-STANDARD BEND          1FAS  54
TURN     3  T4 PRO    56  CYS    59     TYPE II BEND                    1FAS  55
TURN     4  T5 LYS    58  TYR    61     TYPE I BEND                     1FAS  56
SSBOND   1 CYS      3    CYS     22                                     1FAS  57
SSBOND   2 CYS     17    CYS     39                                     1FAS  58
SSBOND   3 CYS     41    CYS     52                                     1FAS  59
SSBOND   4 CYS     53    CYS     59                                     1FAS  60
CRYST1   40.300   40.300   81.300  90.00  90.00  90.00 P 41 21 2     8  1FAS  61
ORIGX1      1.000000  0.000000  0.000000        0.00000                 1FAS  62
ORIGX2      0.000000  1.000000  0.000000        0.00000                 1FAS  63
ORIGX3      0.000000  0.000000  1.000000        0.00000                 1FAS  64
SCALE1      0.024814  0.000000  0.000000        0.00000                 1FAS  65
SCALE2      0.000000  0.024814  0.000000        0.00000                 1FAS  66
SCALE3      0.000000  0.000000  0.012300        0.00000                 1FAS  67