BRENDA - Enzyme Database show

Structure and inhibition of the CO2-sensing carbonic anhydrase Can2 from the pathogenic fungus Cryptococcus neoformans

Schlicker, C.; Hall, R.A.; Vullo, D.; Middelhaufe, S.; Gertz, M.; Supuran, C.T.; Muehlschlegel, F.A.; Steegborn, C.; J. Mol. Biol. 385, 1207-1220 (2009)

Data extracted from this reference:

Crystallization (Commentary)
EC Number
Crystallization
Organism
4.2.1.1
Can2 in complex with acetate, hanging drop vapour diffusion method
Cryptococcus neoformans
Inhibitors
EC Number
Inhibitors
Commentary
Organism
Structure
4.2.1.1
3-bromo-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
3-chloro-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
3-fluoro-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
3-iodo-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(2-amino-pyrimidin-4-yl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(4-sulfanilyl-aminoethyl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(4-sulfanilyl-aminomethyl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(carboxyethyl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-amino-6-chloro-benzene-1,3-disulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-aminoethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-aminomethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-carboxy-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-hydroxyethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-hydroxymethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-methyl-5-imino-1,3,4-thiadiazoline-2-sulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-methyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
5-amino-1,3,4-thiadiazole-2-sulfonamide
-
Cryptococcus neoformans
4.2.1.1
acetate
-
Cryptococcus neoformans
4.2.1.1
aminobenzolamide
-
Cryptococcus neoformans
4.2.1.1
benzolamide
-
Cryptococcus neoformans
4.2.1.1
brinzolamide
-
Cryptococcus neoformans
4.2.1.1
celecoxib
-
Cryptococcus neoformans
4.2.1.1
chlorazolamide
-
Cryptococcus neoformans
4.2.1.1
dichlorophenamide
-
Cryptococcus neoformans
4.2.1.1
dorzolamide
-
Cryptococcus neoformans
4.2.1.1
ethoxzolamide
-
Cryptococcus neoformans
4.2.1.1
indisulam
-
Cryptococcus neoformans
4.2.1.1
methazolamide
-
Cryptococcus neoformans
4.2.1.1
N-(5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl)acetamide
-
Cryptococcus neoformans
4.2.1.1
saccharin
-
Cryptococcus neoformans
4.2.1.1
sulpiride
-
Cryptococcus neoformans
4.2.1.1
sulthiame
-
Cryptococcus neoformans
4.2.1.1
topiramate
-
Cryptococcus neoformans
4.2.1.1
valdecoxib
-
Cryptococcus neoformans
4.2.1.1
zonisamide
-
Cryptococcus neoformans
Metals/Ions
EC Number
Metals/Ions
Commentary
Organism
Structure
4.2.1.1
Zn2+
contains one Zn2+ per monomer
Cryptococcus neoformans
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
4.2.1.1
Cryptococcus neoformans
-
-
-
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
4.2.1.1
CO2 + H2O
-
699561
Cryptococcus neoformans
H2CO3
-
-
-
r
Subunits
EC Number
Subunits
Commentary
Organism
4.2.1.1
dimer
x-ray crystallography
Cryptococcus neoformans
Ki Value [mM]
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
4.2.1.1
0.0000105
-
N-(5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl)acetamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000023
-
benzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000042
-
aminobenzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000063
-
methazolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000087
-
brinzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000087
-
ethoxzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.0003
-
4-amino-6-chloro-benzene-1,3-disulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000367
-
topiramate
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000379
-
chlorazolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.00044
-
4-(carboxyethyl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000484
-
4-carboxy-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000605
-
3-chloro-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000623
-
4-hydroxymethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000624
-
4-(4-sulfanilyl-aminoethyl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000704
-
valdecoxib
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000711
-
3-iodo-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000765
-
4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000791
-
5-amino-1,3,4-thiadiazole-2-sulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000809
-
3-fluoro-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000812
-
sulpiride
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000815
-
4-methyl-5-imino-1,3,4-thiadiazoline-2-sulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000878
-
4-hydroxyethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.00089
-
sulthiame
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000963
-
indisulam
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000968
-
4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000971
-
4-(4-sulfanilyl-aminomethyl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000971
-
zonisamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000977
-
3-bromo-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.00115
-
4-methyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.001203
-
dichlorophenamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.001394
-
4-aminoethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.003056
-
celecoxib
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.003887
-
4-(2-amino-pyrimidin-4-yl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.008347
-
dorzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.01849
-
4-aminomethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.032
-
saccharin
at 20°C, pH 8.3
Cryptococcus neoformans
Crystallization (Commentary) (protein specific)
EC Number
Crystallization
Organism
4.2.1.1
Can2 in complex with acetate, hanging drop vapour diffusion method
Cryptococcus neoformans
Inhibitors (protein specific)
EC Number
Inhibitors
Commentary
Organism
Structure
4.2.1.1
3-bromo-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
3-chloro-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
3-fluoro-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
3-iodo-4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(2-amino-pyrimidin-4-yl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(4-sulfanilyl-aminoethyl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(4-sulfanilyl-aminomethyl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-(carboxyethyl)-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-amino-6-chloro-benzene-1,3-disulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-amino-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-aminoethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-aminomethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-carboxy-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-hydroxyethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-hydroxymethyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-methyl-5-imino-1,3,4-thiadiazoline-2-sulfonamide
-
Cryptococcus neoformans
4.2.1.1
4-methyl-benzenesulfonamide
-
Cryptococcus neoformans
4.2.1.1
5-amino-1,3,4-thiadiazole-2-sulfonamide
-
Cryptococcus neoformans
4.2.1.1
acetate
-
Cryptococcus neoformans
4.2.1.1
aminobenzolamide
-
Cryptococcus neoformans
4.2.1.1
benzolamide
-
Cryptococcus neoformans
4.2.1.1
brinzolamide
-
Cryptococcus neoformans
4.2.1.1
celecoxib
-
Cryptococcus neoformans
4.2.1.1
chlorazolamide
-
Cryptococcus neoformans
4.2.1.1
dichlorophenamide
-
Cryptococcus neoformans
4.2.1.1
dorzolamide
-
Cryptococcus neoformans
4.2.1.1
ethoxzolamide
-
Cryptococcus neoformans
4.2.1.1
indisulam
-
Cryptococcus neoformans
4.2.1.1
methazolamide
-
Cryptococcus neoformans
4.2.1.1
N-(5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl)acetamide
-
Cryptococcus neoformans
4.2.1.1
saccharin
-
Cryptococcus neoformans
4.2.1.1
sulpiride
-
Cryptococcus neoformans
4.2.1.1
sulthiame
-
Cryptococcus neoformans
4.2.1.1
topiramate
-
Cryptococcus neoformans
4.2.1.1
valdecoxib
-
Cryptococcus neoformans
4.2.1.1
zonisamide
-
Cryptococcus neoformans
Ki Value [mM] (protein specific)
EC Number
Ki Value [mM]
Ki Value maximum [mM]
Inhibitor
Commentary
Organism
Structure
4.2.1.1
0.0000105
-
N-(5-(aminosulfonyl)-1,3,4-thiadiazol-2-yl)acetamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000023
-
benzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000042
-
aminobenzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000063
-
methazolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000087
-
brinzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000087
-
ethoxzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.0003
-
4-amino-6-chloro-benzene-1,3-disulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000367
-
topiramate
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000379
-
chlorazolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.00044
-
4-(carboxyethyl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000484
-
4-carboxy-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000605
-
3-chloro-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000623
-
4-hydroxymethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000624
-
4-(4-sulfanilyl-aminoethyl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000704
-
valdecoxib
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000711
-
3-iodo-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000765
-
4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000791
-
5-amino-1,3,4-thiadiazole-2-sulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000809
-
3-fluoro-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000812
-
sulpiride
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000815
-
4-methyl-5-imino-1,3,4-thiadiazoline-2-sulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000878
-
4-hydroxyethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.00089
-
sulthiame
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000963
-
indisulam
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000968
-
4-amino-6-trifluoromethyl-benzene-1,3-disulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000971
-
4-(4-sulfanilyl-aminomethyl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000971
-
zonisamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.000977
-
3-bromo-4-amino-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.00115
-
4-methyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.001203
-
dichlorophenamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.001394
-
4-aminoethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.003056
-
celecoxib
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.003887
-
4-(2-amino-pyrimidin-4-yl)-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.008347
-
dorzolamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.01849
-
4-aminomethyl-benzenesulfonamide
at 20°C, pH 8.3
Cryptococcus neoformans
4.2.1.1
0.032
-
saccharin
at 20°C, pH 8.3
Cryptococcus neoformans
Metals/Ions (protein specific)
EC Number
Metals/Ions
Commentary
Organism
Structure
4.2.1.1
Zn2+
contains one Zn2+ per monomer
Cryptococcus neoformans
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
4.2.1.1
CO2 + H2O
-
699561
Cryptococcus neoformans
H2CO3
-
-
-
r
Subunits (protein specific)
EC Number
Subunits
Commentary
Organism
4.2.1.1
dimer
x-ray crystallography
Cryptococcus neoformans