PDB entry 4qxm

View 4qxm on RCSB PDB site
Description: Crystal structure of the InhA:GSK_SB713 complex
Class: oxidoreductase/oxidoreductase inhibitor
Keywords: Rossman fold, enoyl-ACP reductase, NADH binding, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Deposited on 2014-07-21, released 2015-07-22
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-07-22, with a file datestamp of 2015-07-17.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: N/A
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Gene: inhA, MTCY277.05, Rv1484
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qxma_
  • Chain 'C':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Gene: inhA, MTCY277.05, Rv1484
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qxmc_
  • Chain 'E':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Gene: inhA, MTCY277.05, Rv1484
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qxme_
  • Chain 'G':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: MYCOBACTERIUM TUBERCULOSIS H37RV [TaxId:83332]
    Gene: inhA, MTCY277.05, Rv1484
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d4qxmg_
  • Heterogens: NAD, 713, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4qxmA (A:)
mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
tvcallsdwlpattgdiiyadggahtqll

    Sequence, based on observed residues (ATOM records): (download) 
    >4qxmA (A:)
tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
ygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvakt
vcallsdwlpattgdiiyadggahtqll

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >4qxmC (C:)
mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
tvcallsdwlpattgdiiyadggahtqll

    Sequence, based on observed residues (ATOM records): (download) 
    >4qxmC (C:)
tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
ygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvakt
vcallsdwlpattgdiiyadggahtqll

  • Chain 'E':
    Sequence, based on SEQRES records: (download) 
    >4qxmE (E:)
mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
tvcallsdwlpattgdiiyadggahtqll

    Sequence, based on observed residues (ATOM records): (download) 
    >4qxmE (E:)
tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
ygvrsnlvaagpirqiqlleegwdqrapigwnmkdatpvaktvcallsdwlpattgdiiy
adggahtqll

  • Chain 'G':
    Sequence, based on SEQRES records: (download) 
    >4qxmG (G:)
mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
tvcallsdwlpattgdiiyadggahtqll

    Sequence, based on observed residues (ATOM records): (download) 
    >4qxmG (G:)
tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfrlrliqritdrlpakaplle
ldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgihi
saysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagky
gvrsnlvaagpieegwdqrapigwnmkdatpvaktvcallsdwlpattgdiiyadggaht
qll