PDB entry 4ej5

View 4ej5 on RCSB PDB site
Description: Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A wild-type
Class: hydrolase
Keywords: Metalloprotease, peptidase M27 superfamily, Clostridial neurotoxin zinc protease, Human target snap-25, HYDROLASE
Deposited on 2012-04-06, released 2012-08-15
The last revision prior to the SCOPe 2.04 freeze date was dated 2012-10-17, with a file datestamp of 2012-10-12.
Experiment type: XRAY
Resolution: 1.87 Å
R-factor: 0.163
AEROSPACI score: 0.52 (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, atx, bna
    Database cross-references and differences (RAF-indexed):
    • Uniprot P10845 (20-444)
      • expression tag (12-19)
      • natural variant (46)
    Domains in SCOPe 2.04: d4ej5a_
  • Heterogens: ZN, EDO, SO4, IMD, CO3, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4ej5A (A:)
    mgsshhhhhhssglvprgshmpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihn
    kiwviperdtftnpeegdlnpppeakqvpvsyydstylstdnekdnylkgvtklferiys
    tdlgrmlltsivrgipfwggstidtelkvidtncinviqpdgsyrseelnlviigpsadi
    iqfecksfghevlnltrngygstqyirfspdftfgfeeslevdtnpllgagkfatdpavt
    lahelihaghrlygiainpnrvfkvntnayyemsglevsfeelrtfgghdakfidslqen
    efrlyyynkfkdiastlnkaksivgttaslqymknvfkekyllsedtsgkfsvdklkfdk
    lykmlteiytednfvkffkvlnrktylnfdkavfkinivpkvnytiydgfnlrntnlaan
    fngqnteinnmnftklknftglfef
    

    Sequence, based on observed residues (ATOM records): (download)
    >4ej5A (A:)
    glvprgshmpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtft
    npeegdlnpppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsiv
    rgipfwggstidtelkvidtncinviqpdgsyrseelnlviigpsadiiqfecksfghev
    lnltrngygstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrl
    ygiainpnrvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkd
    iastlnkaksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiyted
    nfvkffkvlnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmn
    ftklknftglfef