2026-10-10_00000161|ligand|9T58

Human Carbonic Anhydrase II in complex with (2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(4-(((4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy)methyl)-1H-1,2,3-triazol-1-yl)-N-(4-sulfamoylphenyl)tetrahydro-2H-pyran-2-carboxamide; X-ray diffraction 1.39Å
Protein #1 260 residues (99% resolved)

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1JTQ

InChI=1S/C27H27N5O10S/c28-43(38,39)16-7-4-13(5-8-16)29-25(36)24-22(34)21(33)23(35)26(42-24)32-11-14(30-31-32)12-40-15-6-9-18-17-2-1-3-19(17)27(37)41-20(18)10-15/h4-11,21-24,26,33-35H,1-3,12H2,(H,29,36)(H2,28,38,39)/t21-,22+,23+,24+,26-/m1/s1

c1cc(ccc1NC(=O)[C@@H]2[C@H]([C@H]([C@@H]([C@@H](O2)n3cc(nn3)COc4ccc5c(c4)OC(=O)C6=C5CCC6)O)O)O)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