2026-10-17_00000068|ligand|30EN

Crystal structure of carbonic anhydrase II with methyl 4-phenylsulfanyl-3-sulfamoyl-benzoate; X-ray diffraction 1.42Å
Protein #1 260 residues (99% resolved)

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1J5R

InChI=1S/C14H13NO4S2/c1-19-14(16)10-7-8-12(13(9-10)21(15,17)18)20-11-5-3-2-4-6-11/h2-9H,1H3,(H2,15,17,18)

COC(=O)c1ccc(c(c1)S(=O)(=O)N)Sc2ccccc2
Non polymer #3 BCN

InChI=1S/C6H13NO4/c8-3-1-7(2-4-9)5-6(10)11/h8-9H,1-5H2,(H,10,11)

C(CO)N(CCO)CC(=O)O
Non polymer #4 DMS

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

CS(=O)C
Non polymer #5 NA

InChI=1S/Na/q+1

[Na+]
Non polymer #6 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference