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
Deposited on
2003-04-21, released
2003-09-16
The last revision prior to the SCOP 1.73 freeze date was dated
2005-02-01, with a file datestamp of
2007-06-04.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.228
AEROSPACI score: 0.16
(click here for full SPACI score report)
Chains and heterogens:
- Chain 'A':
Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
Species: Mycobacterium tuberculosis
Gene: INHA OR RV1484 OR MT1531 OR MTCY277.05
Database cross-references and differences (RAF-indexed):
Domains in SCOP 1.73: d1p45a_ - Chain 'B':
Compound: Enoyl-[acyl-carrier-protein] reductase [NADH]
Species: Mycobacterium tuberculosis
Gene: INHA OR RV1484 OR MT1531 OR MTCY277.05
Database cross-references and differences (RAF-indexed):
Domains in SCOP 1.73: 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