2025-05-10_00000234
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ligand
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9FJV
Structure of human carbonic anhydrase II complexed with 4-(cyclooctylmethyl)-5,7,8-trifluoro-3,4-dihydro-2H-benzo[b][1,4]thiazine-6- sulfonamide 1,1-dioxide;
X-ray diffraction 1.20Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1IDN
InChI=1S/C17H23F3N2O4S2/c18-12-13(19)17-15(14(20)16(12)28(21,25)26)22(8-9-27(17,23)24)10-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H2,21,25,26)
InChI=1S/C17H23F3N2O4S2/c18-12-13(19)17-15(14(20)16(12)28(21,25)26)22(8-9-27(17,23)24)10-11-6-4-2-1-3-5-7-11/h11H,1-10H2,(H2,21,25,26)
SMILES: C1CCCC(CCC1)CN2CCS(=O)(=O)c3c2c(c(c(c3F)F)S(=O)(=O)N)F
C1CCCC(CCC1)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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