2026-10-17_00000070|ligand|30FA

Crystal structure of carbonic anhydrase XII with methyl 4-benzylsulfanyl-3-sulfamoyl-benzoate; X-ray diffraction 1.13Å
Protein #1 263 residues (99% resolved)

MSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ

MSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
Non polymer #2 A1IEL

InChI=1S/C15H15NO4S2/c1-20-15(17)12-7-8-13(14(9-12)22(16,18)19)21-10-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H2,16,18,19)

COC(=O)c1ccc(c(c1)S(=O)(=O)N)SCc2ccccc2
Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

C(CO)O
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Non polymer #5 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference