PDBsum entry 3swo

Oxidoreductase

PDB id: 3swo

Contents

Protein chains

388 a.a.

Ligands

FDA ×4

EDO ×10

UNX ×15

Waters ×2097

PDB id:

3swo

Name:

Oxidoreductase

Title:

Crystal structure of a glutaryl-coa dehydrogenase from mycobacterium smegmatis in complex with fadh2

Structure:

Glutaryl-coa dehydrogenase. Chain: a, b, c, d. Engineered: yes

Source:

Mycobacterium smegmatis. Organism_taxid: 246196. Strain: atcc 7000084 / mc(2)155. Gene: msmeg_6686. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

1.45Å R-factor: 0.128 R-free: 0.150

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:

14-Jul-11 Release date: 03-Aug-11

Protein chains

A0R6V6  (A0R6V6_MYCS2) -  Glutaryl-CoA dehydrogenase from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155)

Seq: 397 a.a.

Struc: 388 a.a.

Enzyme reactions

• Enzyme class: E.C.1.3.8.6 - glutaryl-CoA dehydrogenase (ETF).
• Reaction: glutaryl-CoA + oxidized [electron-transfer flavoprotein] + 2 H⁺ = (2E)- butenoyl-CoA + reduced [electron-transfer flavoprotein] + CO2

glutaryl-CoA + oxidized [electron-transfer flavoprotein] + 2 × H(+) = (2E)- butenoyl-CoA + reduced [electron-transfer flavoprotein] (Bound ligand (Het Group name = EDO) matches with 40.00% similarity) + CO2

• Cofactor: FAD

FAD (Bound ligand (Het Group name = FDA) corresponds exactly)

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.