2026-08-01_00000200|ligand|30TA

Crystal structure of hCA II in complex with 1-Aryl-6,7-dimethoxy-3,4-dihydroisoquinoline-2(1H)-sulfonamide inhibitor; X-ray diffraction 1.05Å
Protein #1 262 residues (98% resolved)

MGMSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MGMSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1J8Z

InChI=1S/C17H20N2O4S/c1-22-15-10-13-8-9-19(24(18,20)21)17(12-6-4-3-5-7-12)14(13)11-16(15)23-2/h3-7,10-11,17H,8-9H2,1-2H3,(H2,18,20,21)/t17-/m0/s1

COc1cc2c(cc1OC)[C@@H](N(CC2)S(=O)(=O)N)c3ccccc3
Non polymer #3 MBO

InChI=1S/C7H5O2.Hg/c8-7(9)6-4-2-1-3-5-6;/h2-5H,(H,8,9);

c1cc(ccc1C(=O)O)[Hg]
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference