PDB entry 4kuf

View 4kuf on RCSB PDB site
Description: Crystal structure of the catalytic domain of botulinum neurotoxin BoNT/A C134 mutant with MTSEA modified Cys-165 causing stretch disorder
Class: hydrolase
Keywords: Clostridial neurotoxin zinc protease, Peptidase_M27, SNAP 25, covalent inhibition, HYDROLASE
Deposited on 2013-05-22, released 2014-07-09
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-07-17, with a file datestamp of 2019-07-12.
Experiment type: XRAY
Resolution: 1.7 Å
R-factor: N/A
AEROSPACI score: 0.4 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Botulinum neurotoxin A light chain
    Species: Clostridium botulinum A [TaxId:441771]
    Gene: botA, CBO0806, CLC_0862
    Database cross-references and differences (RAF-indexed):
    • Uniprot A5HZZ9 (20-444)
      • expression tag (19)
      • engineered mutation (153)
    Domains in SCOPe 2.08: d4kufa1, d4kufa2
  • Heterogens: ZN, DMS, LMR, GOL, EDO, NA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4kufA (A:)
    mgsshhhhhhssglvprgshmpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihn
    kiwviperdtftnpeegdlnpppeakqvpvsyydstylstdnekdnylkgvtklferiys
    tdlgrmlltsivrgipfwggstidtelkvidtnsinviqpdgsyrseelnlviigpsadi
    iqfexksfghevlnltrngygstqyirfspdftfgfeeslevdtnpllgagkfatdpavt
    lahelihaghrlygiainpnrvfkvntnayyemsglevsfeelrtfgghdakfidslqen
    efrlyyynkfkdiastlnkaksivgttaslqymknvfkekyllsedtsgkfsvdklkfdk
    lykmlteiytednfvkffkvlnrktylnfdkavfkinivpkvnytiydgfnlrntnlaan
    fngqnteinnmnftklknftglfef
    

    Sequence, based on observed residues (ATOM records): (download)
    >4kufA (A:)
    hmpfvnkqfnykdpvngvdiayikipnagqmqpvkafkihnkiwviperdtftnpeegdl
    npppeakqvpvsyydstylstdnekdnylkgvtklferiystdlgrmlltsivrgipfwg
    gstidtelkvidtnsinviqpdgsyrseelnlviigpsadiiqfexksfghevlnltrng
    ygstqyirfspdftfgfeeslevdtnpllgagkfatdpavtlahelihaghrlygiainp
    nrvfkvntnayyemsglevsfeelrtfgghdakfidslqenefrlyyynkfkdiastlnk
    aksivgttaslqymknvfkekyllsedtsgkfsvdklkfdklykmlteiytednfvkffk
    vlnrktylnfdkavfkinivpkvnytiydgfnlrntnlaanfngqnteinnmnftklknf
    tglfef