6VKG

Human carbonic anhydrase IX mimic with Epacadostat bound

Summary for 6VKG

• Entry DOI: 10.2210/pdb6vkg/pdb
• Descriptor: human carbonic anhydrase IX mimic, ZINC ION, N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide, ... (5 entities in total)
• Functional Keywords: human carbonic anhydrase ix mimic, metalloenzyme, epacadostat, metal binding protein, lyase-lyase inhibitor complex, lyase/lyase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 29922.63

Authors

Peat, T.S.,Carta, F.,Supuran, C.T. (deposition date: 2020-01-20, release date: 2020-03-04, Last modification date: 2023-10-11)

• Primary citation: Angeli, A.,Peat, T.S.,Selleri, S.,Saleh Alfawaz Altamimi, A.,Supuran, C.T.,Carta, F.; X-ray crystallography of Epacadostat in adduct with Carbonic Anhydrase IX.; Bioorg.Chem., 97:103669-103669, 2020; PubMed: 32088421; DOI: 10.1016/j.bioorg.2020.103669

Experimental method

X-RAY DIFFRACTION (1.37 Å)