2026-07-18_00000212
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ligand
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9SNB
human carbonic anhydrase II in complex with 4-(2-fluoro-4-sulfamoylphenyl)-N-(4-fluorophenyl)piperazine-1-carboxamide;
X-ray diffraction 1.75Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1JOU
InChI=1S/C17H18F2N4O3S/c18-12-1-3-13(4-2-12)21-17(24)23-9-7-22(8-10-23)16-6-5-14(11-15(16)19)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
InChI=1S/C17H18F2N4O3S/c18-12-1-3-13(4-2-12)21-17(24)23-9-7-22(8-10-23)16-6-5-14(11-15(16)19)27(20,25)26/h1-6,11H,7-10H2,(H,21,24)(H2,20,25,26)
SMILES: c1cc(ccc1NC(=O)N2CCN(CC2)c3ccc(cc3F)S(=O)(=O)N)F
c1cc(ccc1NC(=O)N2CCN(CC2)c3ccc(cc3F)S(=O)(=O)N)F
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
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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