PDB entry 5oio

View 5oio on RCSB PDB site
Description: InhA (T2A mutant) complexed with 5-((3,5-dimethyl-1H-pyrazol-1-yl)methyl)-N-ethyl-1,3,4-thiadiazol-2-amine
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: 2.74 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 [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: d5oioa1, d5oioa2
  • 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: d5oiob1, d5oiob2
  • Heterogens: 9VT, NAD, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5oioA (A:)
aglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
ygvrsnlvaagpirtlamsaiveeagaqiqlleegwdqrapigwnmkdatpvaktvcall
sdwlpattgdiiyadggahtqll

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

    Sequence, based on observed residues (ATOM records): (download) 
    >5oioB (B:)
aglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
ygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvakt
vcallsdwlpattgdiiyadggahtqll