PDB entry 3nf3
View 3nf3 on RCSB PDB site
Description: Crystal structure of BoNT/A LC with JTH-NB-7239 peptide
Class: hydrolase/hydrolase inhibitor
Keywords: Botulinum neurotoxin, SNARE, BOTULISM, INHIBITION, METALLOPROTEASE, NEUROTRANSMISSION, NEUROMUSCULAR JUNCTION, HYDROLASE, MEMBRANE, METAL-BINDING, PROTEASE, SECRETED, TOXIN, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on
2010-06-09, released
2010-07-21
The last revision prior to the SCOPe 2.07 freeze date was dated
2010-07-21, with a file datestamp of
2010-07-16.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.185
AEROSPACI score: 0.37
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: BoNT/A
Species: Clostridium botulinum [TaxId:1491]
Gene: bont/a, boNT/A, bonta
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.07: d3nf3a_ - Chain 'C':
Compound: JTH-NB72-39 inhibitor
Database cross-references and differences (RAF-indexed):
- Heterogens: ZN, NI, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>3nf3A (A:)
mpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdln
pppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwgg
stidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngy
gstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpn
rvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnka
ksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkv
lnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknft
plvpr
Sequence, based on observed residues (ATOM records): (download)
>3nf3A (A:)
mpfvnkqfnykdpvngvdiayikipnqmqpvkafkihnkiwviperdtftnpeegdlppp
eakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwggsti
dtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngygst
qyirfspdftfgfeegkfatdpavtlahelihaghrlygiainpnrvfkvnlevsfeelr
tfgghdakfidslqenefrlyyynkfkdiastlnkaksivgtaslqymknvfkekyllse
dtsgkfsvdklkfdklykmlteiytednfvkffkvlnrktylnfdkavfkinivpkvnyt
iydgfnlrntnlaanfngqnteinnmnftklk
- Chain 'C':
No sequence available.