2026-01-10_00000245
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ligand
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9HWM
Human carbonic anhydrase II in complex with methyl 3-((2-hydroxy-5-sulfamoylphenyl)amino)propanoate;
X-ray diffraction 1.15Å
Protein #1
260 residues (98% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1IX5
InChI=1S/C10H14N2O5S/c1-17-10(14)4-5-12-8-6-7(18(11,15)16)2-3-9(8)13/h2-3,6,12-13H,4-5H2,1H3,(H2,11,15,16)
InChI=1S/C10H14N2O5S/c1-17-10(14)4-5-12-8-6-7(18(11,15)16)2-3-9(8)13/h2-3,6,12-13H,4-5H2,1H3,(H2,11,15,16)
SMILES: COC(=O)CCNc1cc(ccc1O)S(=O)(=O)N
COC(=O)CCNc1cc(ccc1O)S(=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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