2025-10-25_00000077|ligand|9H0V

Human Carbonic Anhydrase II in complex with biguanide derivative inhibitor 1-carbamimidamido-N-[2-(4-sulfamoylphenyl)ethyl]methanimidamide; X-ray diffraction 1.40Å
Protein #1 260 residues (99% resolved)

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1IRV

InChI=1S/C10H16N6O2S/c11-9(12)16-10(13)15-6-5-7-1-3-8(4-2-7)19(14,17)18/h1-4H,5-6H2,(H2,14,17,18)(H6,11,12,13,15,16)

[H]/N=C(/N)\N/C(=N\[H])/NCCc1ccc(cc1)S(=O)(=O)N
Non polymer #3 DMS

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

CS(=O)C
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference