PDB entry 3ds9

View 3ds9 on RCSB PDB site
Description: A potent peptidomimetic inhibitor of botulinum neurotoxin serotype A has a very different conformation than SNAP-25 substrate
Class: Hydrolase, Toxin
Keywords: SNARE, botulism, inhibition, metalloprotease, neurotransmission, neuromuscular junction, Hydrolase, Membrane, Metal-binding, Neurotoxin, Pharmaceutical, Protease, Secreted, Toxin, Transmembrane, Zinc
Deposited on 2008-07-11, released 2008-09-30
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 1.76 Å
R-factor: 0.215
AEROSPACI score: 0.49 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Botulinum neurotoxin type A
    Species: Clostridium botulinum [TaxId:1491]
    Gene: botA, CBO0806, CLC_0862
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.07: d3ds9a_
  • Chain 'B':
    Compound: octapeptide I1 inhibitor
    Database cross-references and differences (RAF-indexed):
    • PDB 3DS9 (0-7)
  • Heterogens: ZN, NI, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3ds9A (A:)
mpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdln
pppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwgg
stidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngy
gstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpn
rvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnka
ksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkv
lnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklk

    Sequence, based on observed residues (ATOM records): (download) 
    >3ds9A (A:)
fvnkqfnykdpvngvdiayikipnamqpvkafkihnkiwviperdtftnpeegdlnpppe
akqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwggstid
telkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngygstq
yirfspdftfgfeeagkfatdpavtlahelihaghrlygiainpnrvfkvntnasglevs
feelrtfgghdakfidslqenefrlyyynkfkdiastlnkaksivgttaslqymknvfke
kyllsedtsgkfsvdklkfdklykmlteiytednfvkffkvlnrktylnfdkavfkiniv
pkvnytiydgfnlrntnlaanfngqnteinnmnftklk

  • Chain 'B':
    No sequence available.