6WY0

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine

Summary for 6WY0

• Entry DOI: 10.2210/pdb6wy0/pdb
• Descriptor: Myeloperoxidase light chain, Myeloperoxidase heavy chain, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... (10 entities in total)
• Functional Keywords: myeloperoxidase, mpo, heme, oxidoreductase
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 8
• Total formula weight: 272210.84

Authors

Khan, J.A. (deposition date: 2020-05-12, release date: 2020-10-14, Last modification date: 2023-11-15)

• Primary citation: Shaw, S.A.,Vokits, B.P.,Dilger, A.K.,Viet, A.,Clark, C.G.,Abell, L.M.,Locke, G.A.,Duke, G.,Kopcho, L.M.,Dongre, A.,Gao, J.,Krishnakumar, A.,Jusuf, S.,Khan, J.,Spronk, S.A.,Basso, M.D.,Zhao, L.,Cantor, G.H.,Onorato, J.M.,Wexler, R.R.,Duclos, F.,Kick, E.K.; Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.; Bioorg.Med.Chem., 28:115723-115723, 2020; PubMed: 33007547; DOI: 10.1016/j.bmc.2020.115723

Experimental method

X-RAY DIFFRACTION (2.799 Å)