2x9g

High resolution structure of TbPTR1 in complex with PemetrexedHigh resolution structure of TbPTR1 in complex with Pemetrexed

Structural highlights 2x9g is a 4 chain structure with sequence from Trypanosoma brucei brucei. Full crystallographic information is available from OCA. Ligands: , , Related: 2x9n, 2vz0, 2x9v, 2c7v, 2wd7, 2wd8 Activity: Glucokinase, with EC number 2.7.1.2 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed Pteridine reductase (PTR1) is a potential target for drug development against parasitic Trypanosoma and Leishmania species. These protozoa cause serious diseases for which current therapies are inadequate. High-resolution structures have been determined, using data between 1.6 and 1.1 A resolution, of T. brucei PTR1 in complex with pemetrexed, trimetrexate, cyromazine and a 2,4-diaminopyrimidine derivative. The structures provide insight into the interactions formed by new molecular entities in the enzyme active site with ligands that represent lead compounds for structure-based inhibitor development and to support early-stage drug discovery. High-resolution structures of Trypanosoma brucei pteridine reductase ligand complexes inform on the placement of new molecular entities in the active site of a potential drug target.,Dawson A, Tulloch LB, Barrack KL, Hunter WN Acta Crystallogr D Biol Crystallogr. 2010 Dec;66(Pt 12):1334-40. Epub 2010, Nov 16. PMID:21123874 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

spinqualitylabelsall models 2x9g, resolution 1.10Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image