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TitleProbing conformational states of glutaryl-CoA dehydrogenase by fragment screening.
Journal, issue, pagesActa Crystallogr. ,Sect. F, Vol. 67, Page 1060-1069, Year 2011
Publish dateMay 19, 2008 (structure data deposition date)
AuthorsBegley, D.W. / Davies, D.R. / Hartley, R.C. / Hewitt, S.N. / Rychel, A.L. / Myler, P.J. / Van Voorhis, W.C. / Staker, B.L. / Stewart, L.J.
External linksActa Crystallogr. ,Sect. F / PubMed:21904051
MethodsX-ray diffraction
Resolution1.99 - 2.55 Å
Structure data

PDB-3d6b:
2.2 A crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei
Method: X-RAY DIFFRACTION / Resolution: 2.21 Å

PDB-3eom:
2.4 A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei
Method: X-RAY DIFFRACTION / Resolution: 2.398 Å

PDB-3eon:
2.55A crystal structure of native glutaryl-coa dehydrogenase from Burkholderia pseudomallei in complex with a small molecule
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

PDB-3gnc:
Crystal structure of Glutaryl-COA dehydrogenase from Burkholderia Pseudomallei with fragment 6421
Method: X-RAY DIFFRACTION / Resolution: 2.15 Å

PDB-3gqt:
Crystal structure of glutaryl-CoA dehydrogenase from Burkholderia pseudomallei with fragment (1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methylamine
Method: X-RAY DIFFRACTION / Resolution: 1.99 Å

Chemicals

ChemComp-54D:
methyl thiophene-2-carboxylate

ChemComp-HOH:
WATER

ChemComp-341:
(3,5-difluorophenyl)methanol

ChemComp-SO4:
SULFATE ION

ChemComp-QQQ:
1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-UFO:
1-(1,4-dimethyl-1,2,3,4-tetrahydroquinoxalin-6-yl)methanamine

Source
  • burkholderia pseudomallei (bacteria)
KeywordsOXIDOREDUCTASE / BURKHOLDERIA / PSEUDOMALLEI / GLUTARYL-COA / DEHYDROGENASE / SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE / SSGCID / FAD / Flavoprotein / Structural Genomics / Glutaryl-CoA Dehydrogenase / BupsA.00027.a / Fragment Crystallography / Fragments of Life

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