2026-09-26_00000210|ligand|9SMM

human carbonic anhydrase II in complex with 4-(2,6-difluoro-4-sulfamoylphenyl)-N-(4-fluorophenyl)-1,4-diazepane-1-carboxamide; X-ray diffraction 1.35Å
Protein #1 260 residues (99% resolved)

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1JOX

InChI=1S/C18H19F3N4O3S/c19-12-2-4-13(5-3-12)23-18(26)25-7-1-6-24(8-9-25)17-15(20)10-14(11-16(17)21)29(22,27)28/h2-5,10-11H,1,6-9H2,(H,23,26)(H2,22,27,28)

c1cc(ccc1NC(=O)N2CCCN(CC2)c3c(cc(cc3F)S(=O)(=O)N)F)F
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