PDBsum entry 3p4t

Oxidoreductase

PDB id: 3p4t

Contents

Protein chains

381 a.a. *

Ligands

EDO ×2

FAO ×2

Waters ×782

* Residue conservation analysis

PDB id:

3p4t

Name:

Oxidoreductase

Title:

Crystal structure of a putative acyl-coa dehydrogenase from mycobacterium smegmatis

Structure:

Putative acyl-coa dehydrogenase. Chain: a, b. Engineered: yes

Source:

Mycobacterium smegmatis. Organism_taxid: 246196. Strain: atcc 700084 / mc(2)155. Gene: msmeg_5491. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

1.70Å R-factor: 0.155 R-free: 0.185

Authors:

Seattle Structural Genomics Center For Infectious Disease (Ssgcid)

Key ref:

L.Baugh et al. (2015). Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (edinb), 95, 142-148. PubMed id: 25613812 DOI: 10.1016/j.tube.2014.12.003

Date:

07-Oct-10 Release date: 20-Oct-10

Protein chains

A0R3J1  (A0R3J1_MYCS2) -  Acyl-CoA dehydrogenase from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155)

Seq: 382 a.a.

Struc: 381 a.a.

Enzyme reactions

• Enzyme class: E.C.1.1.1.35 - 3-hydroxyacyl-CoA dehydrogenase.
• Reaction: a (3S)-3-hydroxyacyl-CoA + NAD⁺ = a 3-oxoacyl-CoA + NADH + H⁺

(3S)-3-hydroxyacyl-CoA + NAD(+) (Bound ligand (Het Group name = FAO) matches with 76.36% similarity) = 3-oxoacyl-CoA + NADH + H(+)

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

reference

DOI no: 10.1016/j.tube.2014.12.003

Tuberculosis (edinb) 95:142-148 (2015)

PubMed id: 25613812

Increasing the structural coverage of tuberculosis drug targets.

L.Baugh, I.Phan, D.W.Begley, M.C.Clifton, B.Armour, D.M.Dranow, B.M.Taylor, M.M.Muruthi, J.Abendroth, J.W.Fairman, D.Fox, S.H.Dieterich, B.L.Staker, A.S.Gardberg, R.Choi, S.N.Hewitt, A.J.Napuli, J.Myers, L.K.Barrett, Y.Zhang, M.Ferrell, E.Mundt, K.Thompkins, N.Tran, S.Lyons-Abbott, A.Abramov, A.Sekar, D.Serbzhinskiy, D.Lorimer, G.W.Buchko, R.Stacy, L.J.Stewart, T.E.Edwards, W.C.Van Voorhis, P.J.Myler.

ABSTRACT

No abstract given.