PDB entry 3c8a

View 3c8a on RCSB PDB site
Description: Crystal structure of the catalytic domain of botulinum neurotoxin serotype A with inhibitory peptide RRGL
Class: hydrolase/hydrolase inhibitor
Keywords: BOTULINUM NEUROTOXIN TYPE A, CATALYTIC DOMAIN, ENDOPEPTIDASE, BIO-WARFARE AGENT, METALLOPROTEASE, PROTEASE, SECRETED, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2008-02-11, released 2008-04-22
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: 1.52 Å
R-factor: 0.192
AEROSPACI score: 0.61 (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 2.06: d3c8aa_
  • Chain 'B':
    Compound: Inhibitor peptide RRGL
    Database cross-references and differences (RAF-indexed):
    • PDB 3C8A (0-End)
  • Heterogens: ZN, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3c8aA (A:)
mpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdln
pppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwgg
stidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngy
gstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpn
rvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnka
ksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkv
lnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknft
glfelehhhhhh

    Sequence, based on observed residues (ATOM records): (download) 
    >3c8aA (A:)
pfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdlnp
ppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwggs
tidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngyg
stqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainpnr
vfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnkak
sivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffkvl
nrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknftg
lf

  • Chain 'B':
    No sequence available.