2024-09-07_00000056
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ligand
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8QF9
Human Carbonic Anhydrase II in complex with (3-((N-(4-sulfamoylphenethyl)phenylsulfonamido)methyl)phenyl)glycine;
X-ray diffraction 1.28Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
UHO
InChI=1S/C23H25N3O6S2/c24-33(29,30)21-11-9-18(10-12-21)13-14-26(34(31,32)22-7-2-1-3-8-22)17-19-5-4-6-20(15-19)25-16-23(27)28/h1-12,15,25H,13-14,16-17H2,(H,27,28)(H2,24,29,30)
InChI=1S/C23H25N3O6S2/c24-33(29,30)21-11-9-18(10-12-21)13-14-26(34(31,32)22-7-2-1-3-8-22)17-19-5-4-6-20(15-19)25-16-23(27)28/h1-12,15,25H,13-14,16-17H2,(H,27,28)(H2,24,29,30)
SMILES: c1ccc(cc1)S(=O)(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3)NCC(=O)O
c1ccc(cc1)S(=O)(=O)N(CCc2ccc(cc2)S(=O)(=O)N)Cc3cccc(c3)NCC(=O)O
Non polymer #3
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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