5QJ3

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH COMPOUND-24 AKA 7-({4-CHLORO-3'-FLUORO-[1,1'- BIPHENYL]-3-YL}METHOXY)-3H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN- 5-AMINE

Summary for 5QJ3

• Entry DOI: 10.2210/pdb5qj3/pdb
• Group deposition: MPO (G_1002056)
• Descriptor: Myeloperoxidase, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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, metal binding protein
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 4
• Total formula weight: 135686.33

Authors

Khan, J.A. (deposition date: 2018-09-26, release date: 2019-02-06, Last modification date: 2021-05-12)

• Primary citation: Wurtz, N.R.,Viet, A.,Shaw, S.A.,Dilger, A.,Valente, M.N.,Khan, J.A.,Jusuf, S.,Narayanan, R.,Fernando, G.,Lo, F.,Liu, X.,Locke, G.A.,Kopcho, L.,Abell, L.M.,Sleph, P.,Basso, M.,Zhao, L.,Wexler, R.R.,Duclos, F.,Kick, E.K.; Potent Triazolopyridine Myeloperoxidase Inhibitors.; ACS Med Chem Lett, 9:1175-1180, 2018; PubMed: 30613322; DOI: 10.1021/acsmedchemlett.8b00308

Experimental method

X-RAY DIFFRACTION (2.76 Å)