2026-09-26_00000225
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ligand
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9SOO
human carbonic anhydrase II in complex with 4-((4-sulfamidimidoylphenyl)ethynyl)benzenesulfonamide;
X-ray diffraction 1.45Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1JO5
InChI=1S/C14H13N3O3S2/c15-21(16,18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22(17,19)20/h3-10H,(H3,15,16,18)(H2,17,19,20)
InChI=1S/C14H13N3O3S2/c15-21(16,18)13-7-3-11(4-8-13)1-2-12-5-9-14(10-6-12)22(17,19)20/h3-10H,(H3,15,16,18)(H2,17,19,20)
SMILES: c1cc(ccc1C#Cc2ccc(cc2)S(=O)(=O)N)[S@](=N)(=O)N
c1cc(ccc1C#Cc2ccc(cc2)S(=O)(=O)N)[S@](=N)(=O)N
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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