Brand  (β version)

PDB ID: 3UIC

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Ligands
Code Name Style Show Link
NAD Nicotinamide-adenine-dinucleotide PoSSuM
09T 1-(3,4-dichlorobenzyl)-5,6-dimethyl-1h-benzimidazole PoSSuM
Non-standard Residues
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Structure summary

Code : 3UIC   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR
Title : Crystal Structure of FabI, an Enoyl Reductase from F. tularensis, in complex with a Novel and Potent Inhibitor
Release Data : 2012-06-06
Compound :
mol_id molecule chains
1 Enoyl-[acyl-carrier-protein] reductase [NADH] A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P
ec: 1.3.1.9
Source :
mol_id organism_scientific expression_system
1 Francisella tularensis subsp. tularensis  (taxid:119856) Escherichia coli  (taxid:562)
strain: Francisella tularensis subsp. TulareNsis Schu4
gene: fabI, fabI Coordinates 801554-802336, FTT_0782
expression_system_strain: BL21
expression_system_vector_type: Plasmid
expression_system_plasmid: pET15b
Authors : Mehboob, S., Santarsiero, B.D., Truong, K., Johnson, M.E.
Keywords : Rossmann Fold, Enoyl Reductase, NADH Binding, OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.50 Å )
Citation :

Structural and enzymatic analyses reveal the binding mode of a novel series of Francisella tularensis enoyl reductase (FabI) inhibitors.

Mehboob, S.,Hevener, K.E.,Truong, K.  et al.
(2012)  J.Med.Chem.  55 : 5933 - 5941

PubMed: 22642319
DOI: 10.1021/jm300489v

Reaction

Chain : A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P
UniProt : Q5NGQ3 (Q5NGQ3_FRATT)
Reaction: EC: Evidence:
Physiological Direction:
a 2,3-saturated acyl-[ACP] + NAD(+) = a (2E)-enoyl-[ACP] + H(+) + NADH 1.3.1.9 PIRNR:PIRNR000094
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