2025-07-12_00000003
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ligand
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8VQ5
hCA-II-Bivalent compound bound complex EthylUreadibenzensulfonamide;
X-ray diffraction 1.50Å
Protein #1
259 residues (100% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASF
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASF
Non polymer #2
A1ADH
InChI=1S/C17H22N4O5S2/c18-27(23,24)15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(8-4-14)28(19,25)26/h1-8H,9-12H2,(H2,18,23,24)(H2,19,25,26)(H2,20,21,22)
InChI=1S/C17H22N4O5S2/c18-27(23,24)15-5-1-13(2-6-15)9-11-20-17(22)21-12-10-14-3-7-16(8-4-14)28(19,25)26/h1-8H,9-12H2,(H2,18,23,24)(H2,19,25,26)(H2,20,21,22)
SMILES: c1cc(ccc1CCNC(=O)NCCc2ccc(cc2)S(=O)(=O)N)S(=O)(=O)N
c1cc(ccc1CCNC(=O)NCCc2ccc(cc2)S(=O)(=O)N)S(=O)(=O)N
Non polymer #3
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Non polymer #4
ZYX
InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
InChI=1S/C8H12N2O2S/c9-6-5-7-1-3-8(4-2-7)13(10,11)12/h1-4H,5-6,9H2,(H2,10,11,12)
SMILES: c1cc(ccc1CCN)S(=O)(=O)N
c1cc(ccc1CCN)S(=O)(=O)N
Biounit #1
monomer
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Model
Reference
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