2VVT

Glutamate Racemase (MurI) from E. faecalis in complex with a 9-Benzyl Purine inhibitor

Summary for 2VVT

Entry DOI	10.2210/pdb2vvt/pdb
Related	2JFO 2JFP
Descriptor	GLUTAMATE RACEMASE, 2-butoxy-9-(2,6-difluorobenzyl)-N-(2-morpholin-4-ylethyl)-9H-purin-6-amine, D-GLUTAMIC ACID, ... (4 entities in total)
Functional Keywords	isomerase, glutamate racemase, peptidoglycan synthesis, cell wall biogenesis/degradation, cell shape, benzyl purine, muri inhibitor
Biological source	ENTEROCOCCUS FAECALIS
Total number of polymer chains	2
Total formula weight	63683.73
Authors	Geng, B.,Breault, G.,Comita-Prevoir, J.,Petrichko, R.,Eyermann, C.,Lundqvist, T.,Doig, P.,Gorseth, E.,Noonan, B. (deposition date: 2008-06-11, release date: 2008-06-24, Last modification date: 2023-12-13)
Primary citation	Geng, B.,Breault, G.,Comita-Prevoir, J.,Petrichko, R.,Eyermann, C.,Lundqvist, T.,Doig, P.,Gorseth, E.,Noonan, B. Exploring 9-Benzyl Purines as Inhibitors of Glutamate Racemase (Muri) in Gram-Positive Bacteria. Bioorg.Med.Chem.Lett., 18:4368-, 2008 Cited by PubMed Abstract: An early SAR study of a screening hit series has generated a series of 9-benzyl purines as inhibitors of bacterial glutamate racemase (MurI) with micromolar enzyme potency and improved physical properties. X-ray co-crystal EI structures were obtained. PubMed: 18614367 DOI: 10.1016/J.BMCL.2008.06.068 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.65 Å)

Structure validation