PDB entry 5oif

View 5oif on RCSB PDB site
Description: InhA (T2A mutant) complexed with 1-benzyl-3-methyl-1H-pyrazol-5-amine
Class: oxidoreductase
Keywords: Inhibitor, complex, fragment based drug discovery, tuberculosis, OXIDOREDUCTASE
Deposited on 2017-07-18, released 2018-02-14
The last revision prior to the SCOPe 2.07 freeze date was dated 2018-02-14, with a file datestamp of 2018-02-09.
Experiment type: XRAY
Resolution: 2.03 Å
R-factor: N/A
AEROSPACI score: 0.3 (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 2.07: d5oifa_
  • Chain 'B':
    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 2.07: d5oifb_
  • Heterogens: NAD, 9W5, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5oifA (A:)
maglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
tvcallsdwlpattgdiiyadggahtqll

    Sequence, based on observed residues (ATOM records): (download) 
    >5oifA (A:)
glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
ldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgihi
saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
gvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvaktv
callsdwlpattgdiiyadggahtqll

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5oifB (B:)
maglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
tvcallsdwlpattgdiiyadggahtqll

    Sequence, based on observed residues (ATOM records): (download) 
    >5oifB (B:)
glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
ldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgihi
saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
gvrsnlvaagpiraqiqlleegwdqrapigwnmkdatpvaktvcallsdwlpattgdiiy
adggahtqll