2026-01-10_00000246
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ligand
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9HWN
Human carbonic anhydrase I in complex with methyl 3-((2-hydroxy-5-sulfamoylphenyl)amino)propanoate;
X-ray diffraction 1.60Å
Protein #1
260 residues (99% resolved)
Raw Sequence ...
MSPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
Canonical Sequence ...
MSPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISVSYNPATAKEIINVGHSFHVNFEDNDNRSVLKGGPFSDSYRLFQFHFHWGSTNEHGSEHTVDGVKYSAELHVAHWNSAKYSSLAEAASKADGLAVIGVLMKVGEANPKLQKVLDALQAIKTKGKRAPFTNFDPSTLLPSSLDFWTYPGSLTHPPLYESVTWIICKESISVSSEQLAQFRSLLSNVEGDNAVPMQHNNRPTQPLKGRTVRASF
Non polymer #2
A1IX5
InChI=1S/C10H14N2O5S/c1-17-10(14)4-5-12-8-6-7(18(11,15)16)2-3-9(8)13/h2-3,6,12-13H,4-5H2,1H3,(H2,11,15,16)
InChI=1S/C10H14N2O5S/c1-17-10(14)4-5-12-8-6-7(18(11,15)16)2-3-9(8)13/h2-3,6,12-13H,4-5H2,1H3,(H2,11,15,16)
SMILES: COC(=O)CCNc1cc(ccc1O)S(=O)(=O)N
COC(=O)CCNc1cc(ccc1O)S(=O)(=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
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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