4ZWZ

Engineered Carbonic Anhydrase IX mimic in complex with a glucosyl sulfamate inhibitor

Summary for 4ZWZ

Entry DOI	10.2210/pdb4zwz/pdb
Related	4ZWX 4ZWY 4ZX0 4ZX1
Descriptor	Carbonic anhydrase 2, ZINC ION, methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate, ... (5 entities in total)
Functional Keywords	carbonic anhydrase ix mimic, glucosyl sulfamate, inhibitor complex., lyase-lyase inhibitor complex, lyase/lyase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm : P00918
Total number of polymer chains	1
Total formula weight	29516.58
Authors	Mahon, B.P.,Lomelino, C.L.,Driscoll, J.M.,McKenna, R. (deposition date: 2015-05-19, release date: 2015-08-05, Last modification date: 2023-09-27)
Primary citation	Mahon, B.P.,Lomelino, C.L.,Ladwig, J.,Rankin, G.M.,Driscoll, J.M.,Salguero, A.L.,Pinard, M.A.,Vullo, D.,Supuran, C.T.,Poulsen, S.A.,McKenna, R. Mapping Selective Inhibition of the Cancer-Related Carbonic Anhydrase IX Using Structure-Activity Relationships of Glucosyl-Based Sulfamates. J.Med.Chem., 58:6630-6638, 2015 Cited by PubMed: 26203869 DOI: 10.1021/acs.jmedchem.5b00845 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.62 Å)

Structure validation