PDB entry 5oil
View 5oil on RCSB PDB site
Description: InhA (T2A mutant) complexed with 1-cyclohexyl-3-(pyridin-3-ylmethyl)urea
Class: oxidoreductase
Keywords: Inhibitor, complex, fragment based drug discovery, tuberculosis, OXIDOREDUCTASE
Deposited on
2017-07-19, released
2018-02-14
The last revision prior to the SCOPe 2.08 freeze date was dated
2018-04-18, with a file datestamp of
2018-04-13.
Experiment type: XRAY
Resolution: 2.76 Å
R-factor: N/A
AEROSPACI score: 0.17
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
Species: Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) [TaxId:83332]
Gene: inhA, Rv1484, MTCY277.05
Database cross-references and differences (RAF-indexed):
Domains in SCOPe 2.08: d5oila_ - Heterogens: NAD, 9VW, ETX, HOH
PDB Chain Sequences:
- Chain 'A':
Sequence, based on SEQRES records: (download)
>5oilA (A:)
maglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
tvcallsdwlpattgdiiyadggahtqll
Sequence, based on observed residues (ATOM records): (download)
>5oilA (A:)
glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
ldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgihi
saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
gvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvaktv
callsdwlpattgdiiyadggahtqll