2026-10-10_00000158|ligand|9SW8

Crystal structure of human carbonic anhydrase II in complex with 4-(4-((4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl)sulfonyl)-1,4-diazepan-1-yl)-3-fluorobenzenesulfonamide; X-ray diffraction 1.11Å
Protein #1 260 residues (99% resolved)

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1JQ3

InChI=1S/C28H34FN7O6S2/c1-4-7-22-25-26(34(3)33-22)28(37)32-27(31-25)20-16-19(9-11-24(20)42-5-2)44(40,41)36-13-6-12-35(14-15-36)23-10-8-18(17-21(23)29)43(30,38)39/h8-11,16-17H,4-7,12-15H2,1-3H3,(H2,30,38,39)(H,31,32,37)

CCCc1c2c(n(n1)C)C(=O)NC(=N2)c3cc(ccc3OCC)S(=O)(=O)N4CCCN(CC4)c5ccc(cc5F)S(=O)(=O)N
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference