PDB entry 1p45

View 1p45 on RCSB PDB site
Description: Targeting tuberculosis and malaria through inhibition of enoyl reductase: compound activity and structural data
Class: oxidoreductase
Keywords: InhA, short chain dehydrogenase reductase, triclosan, rossmann fold, enoyl-ACP reductase, Structural Genomics, PSI, Protein Structure Initiative, TB Structural Genomics Consortium, TBSGC, OXIDOREDUCTASE
Deposited on 2003-04-21, released 2003-09-16
The last revision prior to the SCOPe 2.06 freeze date was dated 2011-07-13, with a file datestamp of 2011-05-08.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.228
AEROSPACI score: 0.23 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: INHA OR RV1484 OR MT1531 OR MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d1p45a_
  • Chain 'B':
    Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: INHA OR RV1484 OR MT1531 OR MTCY277.05
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d1p45b_
  • Heterogens: NAD, TCL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >1p45A (A:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >1p45A (A:)
    tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
    eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
    isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
    ygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvakt
    vcallsdwlpattgdiiyadggahtqll
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >1p45B (B:)
    mtglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapl
    leldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgi
    hisaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareag
    kygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvak
    tvcallsdwlpattgdiiyadggahtqll
    

    Sequence, based on observed residues (ATOM records): (download)
    >1p45B (B:)
    tglldgkrilvsgiitdssiafhiarvaqeqgaqlvltgfdrlrliqritdrlpakapll
    eldvqneehlaslagrvteaigagnkldgvvhsigfmpqtgmginpffdapyadvskgih
    isaysyasmakallpimnpggsivgmdfdpsrampaynwmtvaksalesvnrfvareagk
    ygvrsnlvaagpirtlamsaivggalgeeagaqiqlleegwdqrapigwnmkdatpvakt
    vcallsdwlpattgdiiyadggahtqll