BRENDA - Enzyme Database show
show all sequences of 5.4.99.18

Identification of Bacillus anthracis PurE inhibitors with antimicrobial activity

Kim, A.; Wolf, N.; Zhu, T.; Johnson, M.; Deng, J.; Cook, J.; Fung, L.; Bioorg. Med. Chem. 23, 1492-1499 (2015)

Data extracted from this reference:

Cloned(Commentary)
Commentary
Organism
recombinant enzyme expression
Bacillus anthracis
Inhibitors
Inhibitors
Commentary
Organism
Structure
3-chloro-N-(5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
19% inhibition at 0.010 mM
Bacillus anthracis
4-benzoyl-N-(5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl)benzamide
13% inhibition at 0.010 mM
Bacillus anthracis
4-Nitro-5-aminoimidazole ribonucleotide
NAIR
Bacillus anthracis
Ciprofloxacin
-
Bacillus anthracis
linezolid
-
Bacillus anthracis
additional information
high-throughput screening of compounds binding to Bacillus anthracis PurE. A a low ionic strength buffer condition is used to accentuate the thermal shift stabilization induced by compound binding to Bacillus anthracis PurE. Computational ligand docking to the active site. Determination of inhibitory compounds for inhibition of BaPurE activity and for cytotoxicity against Bacillus anthracis (DELTAANR strain), Escherichia coli (BW25113 strain, wild-type and DELTATolC), Francisella tularensis, Staphylococcus aureus (both methicillin susceptible and methicillin-resistant strains) and Yersinia pestis. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values, overview
Bacillus anthracis
Molecular Weight [Da]
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
149000
-
gel filtration
Bacillus anthracis
Natural Substrates/ Products (Substrates)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
Bacillus anthracis
-
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
-
-
r
Organism
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
Bacillus anthracis
A0A150QXP6
-
-
Purification (Commentary)
Commentary
Organism
recombinant enzyme to over 85% purity
Bacillus anthracis
Substrates and Products (Substrate)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
-
747253
Bacillus anthracis
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
-
-
-
r
Subunits
Subunits
Commentary
Organism
octamer
8 * 17322, mass spectrometry, 8 * 17323, sequence calculation
Bacillus anthracis
Temperature Optimum [°C]
Temperature Optimum [°C]
Temperature Optimum Maximum [°C]
Commentary
Organism
20
-
assay at
Bacillus anthracis
pH Optimum
pH Optimum Minimum
pH Optimum Maximum
Commentary
Organism
7.4
-
assay at
Bacillus anthracis
Cloned(Commentary) (protein specific)
Commentary
Organism
recombinant enzyme expression
Bacillus anthracis
Inhibitors (protein specific)
Inhibitors
Commentary
Organism
Structure
3-chloro-N-(5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl)benzamide
19% inhibition at 0.010 mM
Bacillus anthracis
4-benzoyl-N-(5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl)benzamide
13% inhibition at 0.010 mM
Bacillus anthracis
4-Nitro-5-aminoimidazole ribonucleotide
NAIR
Bacillus anthracis
Ciprofloxacin
-
Bacillus anthracis
linezolid
-
Bacillus anthracis
additional information
high-throughput screening of compounds binding to Bacillus anthracis PurE. A a low ionic strength buffer condition is used to accentuate the thermal shift stabilization induced by compound binding to Bacillus anthracis PurE. Computational ligand docking to the active site. Determination of inhibitory compounds for inhibition of BaPurE activity and for cytotoxicity against Bacillus anthracis (DELTAANR strain), Escherichia coli (BW25113 strain, wild-type and DELTATolC), Francisella tularensis, Staphylococcus aureus (both methicillin susceptible and methicillin-resistant strains) and Yersinia pestis. Minimum inhibitory concentration (MIC) and minimum bactericidal concentration (MBC) values, overview
Bacillus anthracis
Molecular Weight [Da] (protein specific)
Molecular Weight [Da]
Molecular Weight Maximum [Da]
Commentary
Organism
149000
-
gel filtration
Bacillus anthracis
Natural Substrates/ Products (Substrates) (protein specific)
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
Bacillus anthracis
-
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
-
-
r
Purification (Commentary) (protein specific)
Commentary
Organism
recombinant enzyme to over 85% purity
Bacillus anthracis
Substrates and Products (Substrate) (protein specific)
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
5-carboxyamino-1-(5-phospho-D-ribosyl)imidazole
-
747253
Bacillus anthracis
5-amino-1-(5-phospho-D-ribosyl)imidazole-4-carboxylate
-
-
-
r
Subunits (protein specific)
Subunits
Commentary
Organism
octamer
8 * 17322, mass spectrometry, 8 * 17323, sequence calculation
Bacillus anthracis
Temperature Optimum [°C] (protein specific)
Temperature Optimum [°C]
Temperature Optimum Maximum [°C]
Commentary
Organism
20
-
assay at
Bacillus anthracis
pH Optimum (protein specific)
pH Optimum Minimum
pH Optimum Maximum
Commentary
Organism
7.4
-
assay at
Bacillus anthracis
Other publictions for EC 5.4.99.18
No.
1st author
Pub Med
title
organims
journal
volume
pages
year
Activating Compound
Application
Cloned(Commentary)
Crystallization (Commentary)
Engineering
General Stability
Inhibitors
KM Value [mM]
Localization
Metals/Ions
Molecular Weight [Da]
Natural Substrates/ Products (Substrates)
Organic Solvent Stability
Organism
Oxidation Stability
Posttranslational Modification
Purification (Commentary)
Reaction
Renatured (Commentary)
Source Tissue
Specific Activity [micromol/min/mg]
Storage Stability
Substrates and Products (Substrate)
Subunits
Temperature Optimum [°C]
Temperature Range [°C]
Temperature Stability [°C]
Turnover Number [1/s]
pH Optimum
pH Range
pH Stability
Cofactor
Ki Value [mM]
pI Value
IC50 Value
Activating Compound (protein specific)
Application (protein specific)
Cloned(Commentary) (protein specific)
Cofactor (protein specific)
Crystallization (Commentary) (protein specific)
Engineering (protein specific)
General Stability (protein specific)
IC50 Value (protein specific)
Inhibitors (protein specific)
Ki Value [mM] (protein specific)
KM Value [mM] (protein specific)
Localization (protein specific)
Metals/Ions (protein specific)
Molecular Weight [Da] (protein specific)
Natural Substrates/ Products (Substrates) (protein specific)
Organic Solvent Stability (protein specific)
Oxidation Stability (protein specific)
Posttranslational Modification (protein specific)
Purification (Commentary) (protein specific)
Renatured (Commentary) (protein specific)
Source Tissue (protein specific)
Specific Activity [micromol/min/mg] (protein specific)
Storage Stability (protein specific)
Substrates and Products (Substrate) (protein specific)
Subunits (protein specific)
Temperature Optimum [°C] (protein specific)
Temperature Range [°C] (protein specific)
Temperature Stability [°C] (protein specific)
Turnover Number [1/s] (protein specific)
pH Optimum (protein specific)
pH Range (protein specific)
pH Stability (protein specific)
pI Value (protein specific)
Expression
General Information
General Information (protein specific)
Expression (protein specific)
KCat/KM [mM/s]
KCat/KM [mM/s] (protein specific)
747257
Lei
Identification of B. anthraci ...
Bacillus anthracis
Bioorg. Med. Chem.
24
596-605
2016
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1
1
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747253
Kim
Identification of Bacillus an ...
Bacillus anthracis
Bioorg. Med. Chem.
23
1492-1499
2015
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6
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6
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1
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726578
Brugarolas
Structural and biochemical cha ...
Staphylococcus aureus
Acta Crystallogr. Sect. D
67
707-715
2011
-
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1
1
3
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1
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1
1
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678260
Hoskins
N5-CAIR mutase: role of a CO2 ...
Escherichia coli
Biochemistry
46
2842-2855
2007
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-
1
1
3
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1
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2
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2
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5
-
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678322
Schaefer
Multiple active site histidine ...
Acetobacter aceti
Biochemistry
46
9507-9512
2007
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-
-
1
-
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3
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678203
Constantine
Biochemical and structural stu ...
Acetobacter aceti
Biochemistry
45
8193-8208
2006
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-
1
1
11
-
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7
-
-
4
-
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4
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1
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1
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2
1
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1
8
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1
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1
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1
11
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7
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4
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1
-
2
1
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1
8
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1
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660590
Settembre
Acidophilic adaptations in the ...
Acetobacter aceti
Acta Crystallogr. Sect. D
60
1753-1760
2004
-
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1
-
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-
4
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663353
Schwarzenbacher
Crystal structure of a phospho ...
Thermotoga maritima
Proteins
55
474-478
2004
-
-
-
1
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1
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649890
Meyer
Evidence for the Direct Transf ...
Escherichia coli
Biochemistry
38
3012-3018
1999
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1
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663416
Mathews
Crystal structure of Escherich ...
Escherichia coli
Structure
7
1395-1406
1999
-
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1
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661777
Sorensen
Identification and sequence an ...
Saccharolobus solfataricus, Saccharolobus solfataricus DSM 1617
FEMS Microbiol. Lett.
154
173-180
1997
-
-
1
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5
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661776
Chung
Genomic organization of purK a ...
Corynebacterium ammoniagenes
FEMS Microbiol. Lett.
137
265-268
1996
-
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1
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661050
Mueller
N5-carboxyaminoimidazole ribon ...
Escherichia coli
Biochemistry
33
2269-2278
1994
-
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1268
Meyer
Purification and characterizat ...
Escherichia coli
Biochemistry
31
5022-5032
1992
-
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3
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1
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661977
Watanabe
Identification and sequence an ...
Escherichia coli, Escherichia coli NK6051
J. Bacteriol.
171
198-204
1989
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