PDB entry 5oiq

View 5oiq on RCSB PDB site
Description: InhA (T2A mutant) complexed with 2,6-dimethyl-3-phenylpyridin-4(1H)-one
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: 2.65 Å
R-factor: N/A
AEROSPACI score: 0.19 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: inhA, Rv1484, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5oiqa_
  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: inhA, Rv1484, MTCY277.05
    Database cross-references and differences (RAF-indexed):
    • Uniprot P9WGR1 (2-268)
      • expression tag (1)
    Domains in SCOPe 2.08: d5oiqb1, d5oiqb2
  • Chain 'C':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: inhA, Rv1484, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5oiqc_
  • Chain 'D':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:83332]
    Gene: inhA, Rv1484, MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5oiqd_
  • Heterogens: 9WB, NAD, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5oiqA (A:)
glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
ldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgihi
saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
gvrsnlvaagpirtlamalgeeagaqiqlleegwdqrapigwnmkdatpvaktvcallsd
wlpattgdiiyadggahtqll

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5oiqB (B:)
aglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
ygvrsnlvaagpirtiqlleegwdqrapigwnmkdatpvaktvcallsdwlpattgdiiy
adggahtqll

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5oiqC (C:)
glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
ldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgihi
saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
gvrsnlvaagpirtlleegwdqrapigwnmkdatpvaktvcallsdwlpattgdiiyadg
gahtqll

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5oiqD (D:)
glldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakaplle
ldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgihi
saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
gvrsnlvaagpirtlaggalgeeagaqiqlleegwdqrapigwnmkdatpvaktvcalls
dwlpattgdiiyadggahtqll