2024-10-19_00000025|ligand|8QUN

human carbonic anhydrase I in complex with 2-((5-cyano-4-hydroxy-6-(p-tolyl)pyrimidin-2-yl)thio)-N-(4-sulfamoylphenyl)acetamide; X-ray diffraction 1.61Å
Protein #1 261 residues (98% resolved)

MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF

MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
Non polymer #2 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Non polymer #3 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #4 WZH

InChI=1S/C20H17N5O4S2/c1-12-2-4-13(5-3-12)18-16(10-21)19(27)25-20(24-18)30-11-17(26)23-14-6-8-15(9-7-14)31(22,28)29/h2-9H,11H2,1H3,(H,23,26)(H2,22,28,29)(H,24,25,27)

Cc1ccc(cc1)c2c(c(nc(n2)SCC(=O)Nc3ccc(cc3)S(=O)(=O)N)O)C#N
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference