PDB entry 4cod

View 4cod on RCSB PDB site
Description: Encoded library technology as a source of hits for the discovery and lead optimization of a potent and selective class of bactericidal direct inhibitors of Mycobacterium tuberculosis InhA
Class: transferase
Keywords: transferase, elt, encoded library technology, isoniazid, l-proline
Deposited on 2014-01-28, released 2014-02-12
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-06-11, with a file datestamp of 2014-06-06.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: 0.1722
AEROSPACI score: 0.3 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4codb_
  • Chain 'D':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4codd_
  • Chain 'F':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4codf_
  • Chain 'H':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d4codh_
  • Heterogens: KV1, NAD, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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