PDB entry 3bwi

View 3bwi on RCSB PDB site
Description: Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with an acetate ion bound at the active site
Class: hydrolase
Keywords: Botulinum Neurotoxin type A, catalytic domain, endopeptidase, Bio-warfare agent, Hydrolase, Metalloprotease, Pharmaceutical, Protease, Secreted, Zinc
Deposited on 2008-01-09, released 2008-04-22
The last revision prior to the SCOPe 2.08 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: 0.206
AEROSPACI score: 0.53 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Botulinum neurotoxin A light chain
    Species: Clostridium botulinum [TaxId:1491]
    Gene: botA
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d3bwia_
  • Heterogens: ZN, SO4, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3bwiA (A:)
mpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdln
pppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwgg
stidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngy
gstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpn
rvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnka
ksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkv
lnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknft
glfelehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3bwiA (A:)
mpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdln
pppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwgg
stidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngy
gstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpn
rvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnka
ksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkv
lnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknft
glf