6n3k

Crystal structure of an epoxide hydrolase from Trichoderma reesei in complex with inhibitor 1

spinqualitylabelsall models 6n3k, resolution 2.20Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 6n3k is a 1 chain structure with sequence from Trichoderma reesei QM9414. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Method: X-ray diffraction, Resolution 2.2Å Ligands: K9V Resources: FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT Function G0R7E2_HYPJQ Publication Abstract from PubMed Epoxide hydrolases (EHs) are enzymes involved in the metabolism of endogenous and exogenous epoxides, and the development of EH inhibitors has important applications in the medicine. In humans, EH inhibitors are being tested in the treatment of cardiovascular diseases and show potent anti-inflammatory effects. EH inhibitors are also considerate promising molecules against infectious diseases. EHs are functionally very well studied, but only a few members have its three-dimensional structures characterized. Recently, a new EH from the filamentous fungi Trichoderma reseei (TrEH) was reported, and a series of urea or amide-based inhibitors were identified. In this study, we describe the crystallographic structures of TrEH in complex with five different urea or amide-based inhibitors with resolutions ranging from 2.6 to 1.7A. The analysis of these structures reveals the molecular basis of the inhibition of these compounds. We could also observe that these inhibitors occupy the whole extension of the active site groove and only a few conformational changes are involved. Understanding the structural basis EH interactions with different inhibitors might substantially contribute for the study of fungal metabolism and in the development of novel and more efficient antifungal drugs against pathogenic Trichoderma species. The molecular structure of an epoxide hydrolase from Trichoderma reesei in complex with urea or amide-based inhibitors.,de Oliveira GS, Adriani PP, Ribeiro JA, Morisseau C, Hammock BD, Dias MVB, Chambergo FS Int J Biol Macromol. 2019 May 15;129:653-658. doi:, 10.1016/j.ijbiomac.2019.02.070. Epub 2019 Feb 13. PMID:30771398 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Epoxide hydrolase 3D structures

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