2025-05-10_00000236
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ligand
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9FN7
Crystal structure of human carboanhydrase XII with 5,7,8-trifluoro-4-(3-propylhexyl)-3,4-dihydro-2H-benzo[b][1,4]thiazine-6-sulfonamide 1,1-dioxide;
X-ray diffraction 1.12Å
Protein #1
263 residues (99% resolved)
Raw Sequence ...
MSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
Canonical Sequence ...
MSKWTYFGPDGENSWSKKYPSCGGLLQSPIDLHSDILQYDASLTPLEFQGYNLSANKQFLLTNNGHSVKLNLPSDMHIQGLQSRYSATQLHLHWGNPNDPHGSEHTVSGQHFAAELHIVHYNSDLYPDASTASNKSEGLAVLAVLIEMGSFNPSYDKIFSHLQHVKYKGQEAFVPGFNIEELLPERTAEYYRYRGSLTTPPCNPTVLWTVFRNPVQISQEQLLALETALYCTHMDDPSPREMINNFRQVQKFDERLVYTSFSQ
Non polymer #2
A1ID0
InChI=1S/C17H25F3N2O4S2/c1-3-5-11(6-4-2)7-8-22-9-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22/h11H,3-10H2,1-2H3,(H2,21,25,26)
InChI=1S/C17H25F3N2O4S2/c1-3-5-11(6-4-2)7-8-22-9-10-27(23,24)17-13(19)12(18)16(28(21,25)26)14(20)15(17)22/h11H,3-10H2,1-2H3,(H2,21,25,26)
SMILES: CCCC(CCC)CCN1CCS(=O)(=O)c2c1c(c(c(c2F)F)S(=O)(=O)N)F
CCCC(CCC)CCN1CCS(=O)(=O)c2c1c(c(c(c2F)F)S(=O)(=O)N)F
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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Biounit #2
homo-dimer
Download coordinates
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Model
Reference
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