PDB entry 3boo

View 3boo on RCSB PDB site
Description: Structure of the C. botulinum neurotoxin serotype A with an inhibitory peptide bound
Class: toxin/toxin inhibitor
Keywords: botulinum, neurotoxin, metalloprotease, peptidic inhibitor, TOXIN-TOXIN INHIBITOR COMPLEX
Deposited on 2007-12-17, released 2008-05-20
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 1.4 Å
R-factor: 0.15
AEROSPACI score: 0.71 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Neurotoxin A
    Species: Clostridium botulinum [TaxId:1491]
    Gene: botA, atx, bna
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d3booa1
  • Chain 'B':
    Compound: N-Ac-CRATKML inhibitory peptide
    Species: synthetic, synthetic
    Database cross-references and differences (RAF-indexed):
    • PDB 3BOO (Start-6)
  • Heterogens: ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3booA (A:)
mqfvnkqfnykdpvngvdiayikipnvgqmqpvkafkihnkiwviperdtftnpeegdln
pppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwgg
stidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngy
gstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpn
rvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnka
ksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkv
lnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknft
glfef

    Sequence, based on observed residues (ATOM records): (download) 
    >3booA (A:)
mqfvnkqfnykdpvngvdiayikipnvgqmqpvkafkihnkiwviperdtftnpeegdln
pvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwggstidte
lkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngygstqyi
rfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpnrvfkvn
tnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnkaksivgt
taslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkvlnrkty
lnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknftglfef

  • Chain 'B':
    No sequence available.