2026-10-17_00000058
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ligand
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29SZ
Crystal structure of carbonic anhydrase II with 3-(benzylsulfonyl)phenyl sulfamate;
X-ray diffraction 1.12Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1J4I
InChI=1S/C13H13NO5S2/c14-21(17,18)19-12-7-4-8-13(9-12)20(15,16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,17,18)
InChI=1S/C13H13NO5S2/c14-21(17,18)19-12-7-4-8-13(9-12)20(15,16)10-11-5-2-1-3-6-11/h1-9H,10H2,(H2,14,17,18)
SMILES: c1ccc(cc1)CS(=O)(=O)c2cccc(c2)OS(=O)(=O)N
c1ccc(cc1)CS(=O)(=O)c2cccc(c2)OS(=O)(=O)N
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
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Model
Reference
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