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 2.08 freeze date was dated
2017-11-22, with a file datestamp of
2017-11-17.
Experiment type: XRAY
Resolution: 1.85 Å
R-factor: N/A
AEROSPACI score: 0.36
(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 2.08: 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