2026-10-17_00000059|ligand|29TB

Crystal structure of carbonic anhydrase II with 3-(benzylthio)phenyl sulfamate; X-ray diffraction 1.60Å
Protein #1 260 residues (99% resolved)

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK

MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2 A1J4K

InChI=1S/C13H13NO3S2/c14-19(15,16)17-12-7-4-8-13(9-12)18-10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,15,16)

c1ccc(cc1)CSc2cccc(c2)OS(=O)(=O)N
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]
Download coordinates
Reference