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):
- 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.