2025-12-20_00000073|ligand|9HQG

Crystal structure of human carbonic anhydrase II in complex with 2-chloro-N-(3-chloro-4-methoxyphenyl)-N-(2-oxo-2-((4-sulfamoylphenethyl)amino)-1-(thiophen-2-yl)ethyl)acetamide; X-ray diffraction 1.32Å
Protein #1 260 residues (99% resolved)

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1IWX

InChI=1S/C23H23Cl2N3O5S2/c1-33-19-9-6-16(13-18(19)25)28(21(29)14-24)22(20-3-2-12-34-20)23(30)27-11-10-15-4-7-17(8-5-15)35(26,31)32/h2-9,12-13,22H,10-11,14H2,1H3,(H,27,30)(H2,26,31,32)/t22-/m0/s1

COc1ccc(cc1Cl)N([C@@H](c2cccs2)C(=O)NCCc3ccc(cc3)S(=O)(=O)N)C(=O)CCl
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