PDBsum entry 4jqc

Oxidoreductase/oxidoreductase inhibitor

PDB id: 4jqc

Contents

Protein chains

258 a.a.

Ligands

NAD ×2

0WE ×2

Waters ×29

PDB id:

4jqc

Name:

Oxidoreductase/oxidoreductase inhibitor

Title:

Crystal structure of e.Coli enoyl reductase in complex with NAD and afn-1252

Structure:

Enoyl-[acyl-carrier-protein] reductase [nadh] fabi. Chain: a, b. Synonym: enr, nadh-dependent enoyl-acp reductase. Engineered: yes

Source:

Escherichia coli. Organism_taxid: 83333. Strain: k12. Gene: fabi, envm, b1288, jw1281. Expressed in: escherichia coli. Expression_system_taxid: 562.

Resolution:

2.80Å R-factor: 0.230 R-free: 0.273

Authors:

H.Subramanya,K.N.Rao,L.Anirudha

Key ref:

H.Subramanya et al. Crystal structure of e.Coli enoyl reductase in comple NAD and afn-1252. To be published, .

Date:

20-Mar-13 Release date: 26-Mar-14

Protein chains

P0AEK4  (FABI_ECOLI) -  Enoyl-[acyl-carrier-protein] reductase [NADH] FabI from Escherichia coli (strain K12)

Seq: 262 a.a.

Struc: 258 a.a.

Enzyme reactions

• Enzyme class: E.C.1.3.1.9 - enoyl-[acyl-carrier-protein] reductase (NADH).
• Reaction: a 2,3-saturated acyl-[ACP] + NAD⁺ = a (2E)-enoyl-[ACP] + NADH + H⁺

2,3-saturated acyl-[ACP] + NAD(+) (Bound ligand (Het Group name = NAD) corresponds exactly) = (2E)-enoyl-[ACP] + NADH + H(+)

Molecule diagrams generated from .mol files obtained from the KEGG ftp site