2025-03-22_00000213
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ligand
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9EN8
Human Carbonic Anhydrase II in complex with (4-{[(4-sulfamoylphenyl)amino]methyl}phenyl)boronic acid;
X-ray diffraction 1.10Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1H53
InChI=1S/C13H15BN2O4S/c15-21(19,20)13-7-5-12(6-8-13)16-9-10-1-3-11(4-2-10)14(17)18/h1-8,16-18H,9H2,(H2,15,19,20)
InChI=1S/C13H15BN2O4S/c15-21(19,20)13-7-5-12(6-8-13)16-9-10-1-3-11(4-2-10)14(17)18/h1-8,16-18H,9H2,(H2,15,19,20)
SMILES: B(c1ccc(cc1)CNc2ccc(cc2)S(=O)(=O)N)(O)O
B(c1ccc(cc1)CNc2ccc(cc2)S(=O)(=O)N)(O)O
Non polymer #3
P6G
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
InChI=1S/C12H26O7/c13-1-3-15-5-7-17-9-11-19-12-10-18-8-6-16-4-2-14/h13-14H,1-12H2
SMILES: C(COCCOCCOCCOCCOCCO)O
C(COCCOCCOCCOCCOCCO)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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