PDB entry 4oim

View 4oim on RCSB PDB site
Description: Crystal structure of Mycobacterium tuberculosis InhA in complex with inhibitor PT119 in 2.4 M acetate
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Inhibition, High-concentration acetate, slow-onset inhibition, substrate binding loop conformational heterogeneity, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2014-01-20, released 2014-04-23
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-04-23, with a file datestamp of 2014-04-18.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: 0.172
AEROSPACI score: 0.43 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: inhA, Rv1484, MT1531, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4oima_
  • Heterogens: NAD, JUS, ACT, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4oimA (A:)
    mgsshhhhhhssglvprgshmtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltg
    fdrlrliqritdrlpakaplleldvqneehlaslagrvteaigagnkldgvvhsigfmpq
    tgmginpffdapyadvskgihisaysyasmakallpimnpggsivgmdfdpsrampaynw
    mtvaksalesvnrfvareagkygvrsnlvaagpirtlamsaivggalgeeagaqiqllee
    gwdqrapigwnmkdatpvaktvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >4oimA (A:)
    tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
    eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
    isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
    ygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvakt
    vcallsdwlpattgdiiyadggahtqll