2025-05-10_00000233
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ligand
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9FJQ
Structure of human carbonic anhydrase II complexed with 4-benzyl-5,7,8-trifluoro-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-sulfonamide 1,1-dioxide;
X-ray diffraction 1.10Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1IDL
InChI=1S/C15H13F3N2O4S2/c16-10-11(17)15-13(12(18)14(10)26(19,23)24)20(6-7-25(15,21)22)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,19,23,24)
InChI=1S/C15H13F3N2O4S2/c16-10-11(17)15-13(12(18)14(10)26(19,23)24)20(6-7-25(15,21)22)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,19,23,24)
SMILES: c1ccc(cc1)CN2CCS(=O)(=O)c3c2c(c(c(c3F)F)S(=O)(=O)N)F
c1ccc(cc1)CN2CCS(=O)(=O)c3c2c(c(c(c3F)F)S(=O)(=O)N)F
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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