2025-12-20_00000049
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ligand
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9HNX
Crystal structure of human carbonic anhydrase II in complex with N-benzyl-2-(2-chloro-N-(4-sulfamoylphenethyl)acetamido)-2-phenylacetamide;
X-ray diffraction 1.35Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Canonical Sequence ...
MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVSYDQATSLRILNNGHAFNVEFDDSQDKAVLKGGPLDGTYRLIQFHFHWGSLDGQGSEHTVDKKKYAAELHLVHWNTKYGDFGKAVQQPDGLAVLGIFLKVGSAKPGLQKVVDVLDSIKTKGKSADFTNFDPRGLLPESLDYWTYPGSLTTPPLLECVTWIVLKEPISVSSEQVLKFRKLNFNGEGEPEELMVDNWRPAQPLKNRQIKASFK
Non polymer #2
A1IWH
InChI=1S/C25H26ClN3O4S/c26-17-23(30)29(16-15-19-11-13-22(14-12-19)34(27,32)33)24(21-9-5-2-6-10-21)25(31)28-18-20-7-3-1-4-8-20/h1-14,24H,15-18H2,(H,28,31)(H2,27,32,33)/t24-/m1/s1
InChI=1S/C25H26ClN3O4S/c26-17-23(30)29(16-15-19-11-13-22(14-12-19)34(27,32)33)24(21-9-5-2-6-10-21)25(31)28-18-20-7-3-1-4-8-20/h1-14,24H,15-18H2,(H,28,31)(H2,27,32,33)/t24-/m1/s1
SMILES: c1ccc(cc1)CNC(=O)[C@@H](c2ccccc2)N(CCc3ccc(cc3)S(=O)(=O)N)C(=O)CCl
c1ccc(cc1)CNC(=O)[C@@H](c2ccccc2)N(CCc3ccc(cc3)S(=O)(=O)N)C(=O)CCl
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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