PDB entry 3dse

View 3dse 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
Keywords: SNARE, botulism, inhibition, metalloprotease, neurotransmission, neuromuscular junction, Hydrolase, Membrane, Metal-binding, Neurotoxin, Protease, Secreted, Toxin, Transmembrane
Deposited on 2008-07-11, released 2008-09-30
The last revision prior to the SCOPe 2.04 freeze date was dated 2011-11-16, with a file datestamp of 2011-11-11.
Experiment type: XRAY
Resolution: 1.9 Å
R-factor: 0.179
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 2.04: d3dsea_
  • Heterogens: ZN, NI, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >3dseA (A:)
    pfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdlnp
    ppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwggs
    tidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghevlnltrngyg
    stqyirfspdftfgfeegagkfatdpavtlahelihaghrlygiainpnrvfkevsfeel
    rtfgghdakfidslqenefrlyyynkfkdiastlnkaksivgttaslqymknvfkekyll
    sedtsgkfsvdklkfdklykmlteiytednfvkffkvlnrktylnfdkavfkinivpkvn
    ytiydgfnlrntnlaanfngqnteinnmnftklk