2026-10-17_00000054
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ligand
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29SV
Crystal structure of carbonic anhydrase XII with methyl 2,4-dichloro-5-(sulfamoyloxy)benzoate;
X-ray diffraction 1.35Å
Protein #1
263 residues (99% resolved)
Raw Sequence ...
MSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
Canonical Sequence ...
MSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
Non polymer #2
A1J4H
InChI=1S/C8H7Cl2NO5S/c1-15-8(12)4-2-7(16-17(11,13)14)6(10)3-5(4)9/h2-3H,1H3,(H2,11,13,14)
InChI=1S/C8H7Cl2NO5S/c1-15-8(12)4-2-7(16-17(11,13)14)6(10)3-5(4)9/h2-3H,1H3,(H2,11,13,14)
SMILES: COC(=O)c1cc(c(cc1Cl)Cl)OS(=O)(=O)N
COC(=O)c1cc(c(cc1Cl)Cl)OS(=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
homo-dimer
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Model
Reference
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