PDB entry 4pkt

View 4pkt on RCSB PDB site
Description: Anthrax toxin lethal factor with bound small molecule inhibitor 13
Class: hydrolase/hydrolase inhibitor
Keywords: Anthrax toxin, lethal factor, metalloproteinase, metalloprotease, structural dynamics, ligand-induced conformational change, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-05-15, released 2014-11-12
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-11-26, with a file datestamp of 2014-11-21.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.182
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Lethal Factor
    Species: Bacillus anthracis [TaxId:1392]
    Gene: lef, pXO1-107, BXA0172, GBAA_pXO1_0172
    Database cross-references and differences (RAF-indexed):
    • Uniprot P15917 (3-514)
      • engineered mutation (4)
      • expression tag (515-516)
    Domains in SCOPe 2.06: d4pkta1, d4pkta2, d4pkta3
  • Heterogens: 30O, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4pktA (A:)
    snalsryekwekikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkr
    iqidssdflsteekeflkklqidirdslseeekellnriqvdssnplsekekeflkklkl
    diqpydinqrlqdtgglidspsinldvrkqykrdiqnidallhqsigstlynkiylyenm
    ninnltatlgadlvdstdntkinrgifnefkknfkysissnymivdinerpaldnerlkw
    riqlspdtragylengklilqrnigleikdvqiikqsekeyiridakvvpkskidtkiqe
    aqlninqewnkalglpkytklitfnvhnryasnivesaylilnewknniqsdlikkvtny
    lvdgngrfvftditlpniaeqythqdeiyeqvhskglyvpesrsillhgpskgvelrnds
    egfihefghavddyagylldknqsdlvtnskkfidifkeegsnltsygrtneaeffaeaf
    rlmhstdhaerlkvqknapktfqfindqikfiinslvpr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4pktA (A:)
    lsryekwekikqhyqhwsdslseegrgllkklqipiepkkddiihslsqeekellkriqi
    dssdflsteekeflkklqidirdsssnplsekekeflkklkldiqpydinqrlqdtggli
    dspsinldvrkqykrdiqnidallhqsigstlynkiylyenmninnltatlgadlvdstd
    ntkinrgifnefkknfkysissnymivdinerpaldnerlkwriqlspdtragylengkl
    ilqrnigleikdvqiikqsekeyiridakvvpkskidtkiqeaqlninqewnkalglpky
    tklitfnvhnryasnivesaylilnewknniqsdlikkvtnylvdgngrfvftditlpni
    aeqythqdeiyeqvhskglyvpesrsillhgpskgvelrndsegfihefghavddyagyl
    ldknqsdlvtnskkfidifkeegsnltsygrtneaeffaeafrlmhstdhaerlkvqkna
    pktfqfindqikfiinslv