Literature summary for 3.5.1.88 extracted from

Fieulaine, S.; Alves de Sousa, R.; Maigre, L.; Hamiche, K.; Alimi, M.; Bolla, J.M.; Taleb, A.; Denis, A.; Pages, J.M.; Artaud, I.; Meinnel, T.; Giglione, C.
A unique peptide deformylase platform to rationally design and challenge novel active compounds (2016), Sci. Rep., 6, 35429 .

Application

Application	Comment	Organism
drug development	peptide deformylase (PDF) is considered an excellent target to develop antibiotics	Arabidopsis thaliana
drug development	peptide deformylase (PDF) is considered an excellent target to develop antibiotics	Escherichia coli
drug development	peptide deformylase (PDF) is considered an excellent target to develop antibiotics	Streptococcus agalactiae

Cloned(Commentary)

Cloned (Comment)	Organism
gene def or gbs1883, recombinant expression of enzyme mutant S2A in Escherichia coli strain Rosetta 2(DE3)pLysS	Streptococcus agalactiae
gene def, recombinant enzyme expression	Escherichia coli
gene DEF2, recombinant expression of isozyme 1B	Arabidopsis thaliana

Crystallization (Commentary)

Crystallization (Comment)	Organism
purified recombinant enzyme mutant S2A in apoform, hanging drop vapour diffusion method, mixing of 0.001 ml of 14-17 mg/ml protein in 50 mM HEPES-NaOH, pH 7.5, 0.1 M NaCl, and 0.1 mM NiCl2, with 0.001 ml of reservoir solution containing 5-15% PEG 8000, 0.2-0.5 M zinc acetate, and 0.1 M imidazole, pH 7.5, or 0.1 M sodium cacodylate, pH 6.5, at 18-20°C, stable crystals of apo-SaPDF are soaked by adding ligands to the drop to a final concentration of 16-32 mM, X-ray diffraction structure determination and analysis	Streptococcus agalactiae

Crystallization (Comment)

Organism

purified recombinant enzyme mutant S2A in apoform, hanging drop vapour diffusion method, mixing of 0.001 ml of 14-17 mg/ml protein in 50 mM HEPES-NaOH, pH 7.5, 0.1 M NaCl, and 0.1 mM NiCl2, with 0.001 ml of reservoir solution containing 5-15% PEG 8000, 0.2-0.5 M zinc acetate, and 0.1 M imidazole, pH 7.5, or 0.1 M sodium cacodylate, pH 6.5, at 18-20°C, stable crystals of apo-SaPDF are soaked by adding ligands to the drop to a final concentration of 16-32 mM, X-ray diffraction structure determination and analysis

Streptococcus agalactiae

Protein Variants

Protein Variants	Comment	Organism
S2A	site-directed mutagenesis	Streptococcus agalactiae

Inhibitors

Inhibitors	Comment	Organism
(3R)-3-[3-[(1,3-benzothiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Arabidopsis thaliana
(3R)-3-[3-[(1,3-benzothiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Escherichia coli
(3R)-3-[3-[(1,3-benzothiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Streptococcus agalactiae
(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	-	Arabidopsis thaliana
(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	-	Escherichia coli
(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	two-step tight-binding process, binding structure analysis	Streptococcus agalactiae
(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Arabidopsis thaliana
(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Escherichia coli
(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Streptococcus agalactiae
(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	-	Arabidopsis thaliana
(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	-	Escherichia coli
(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	two-step tight-binding process	Streptococcus agalactiae
(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Arabidopsis thaliana
(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Escherichia coli
(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Streptococcus agalactiae
(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Arabidopsis thaliana
(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Escherichia coli
(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	two-step tight-binding process, binding structure analysis	Streptococcus agalactiae
(3R)-3-[3-[([1,1'-biphenyl]-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Arabidopsis thaliana
(3R)-3-[3-[([1,1'-biphenyl]-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Escherichia coli
(3R)-3-[3-[([1,1'-biphenyl]-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	-	Streptococcus agalactiae
(3R)-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide	-	Arabidopsis thaliana
(3R)-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide	-	Escherichia coli
(3R)-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide	-	Streptococcus agalactiae
(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	-	Arabidopsis thaliana
(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	-	Escherichia coli
(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	-	Streptococcus agalactiae
(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	-	Arabidopsis thaliana
(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	-	Escherichia coli
(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	-	Streptococcus agalactiae
(3R)-N-hydroxy-3-(4-phenyl-1,3-oxazol-2-yl)heptanamide	-	Arabidopsis thaliana
(3R)-N-hydroxy-3-(4-phenyl-1,3-oxazol-2-yl)heptanamide	-	Escherichia coli
(3R)-N-hydroxy-3-(4-phenyl-1,3-oxazol-2-yl)heptanamide	-	Streptococcus agalactiae
(3R)-N-hydroxy-3-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide	-	Arabidopsis thaliana
(3R)-N-hydroxy-3-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide	-	Escherichia coli
(3R)-N-hydroxy-3-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide	-	Streptococcus agalactiae
(3R)-N-hydroxy-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]heptanamide	-	Arabidopsis thaliana
(3R)-N-hydroxy-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]heptanamide	-	Escherichia coli
(3R)-N-hydroxy-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]heptanamide	-	Streptococcus agalactiae
(3R)-N-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]heptanamide	-	Arabidopsis thaliana
(3R)-N-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]heptanamide	-	Escherichia coli
(3R)-N-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]heptanamide	-	Streptococcus agalactiae
2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	-	Arabidopsis thaliana
2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	-	Escherichia coli
2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	binding structure analysis	Streptococcus agalactiae
2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide	-	Arabidopsis thaliana
2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide	-	Escherichia coli
2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide	binding structure analysis	Streptococcus agalactiae
2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	-	Arabidopsis thaliana
2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	-	Escherichia coli
2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	binding structure analysis	Streptococcus agalactiae
2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxamide	-	Arabidopsis thaliana
2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxamide	-	Escherichia coli
2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxamide	-	Streptococcus agalactiae
3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide	-	Arabidopsis thaliana
3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide	-	Escherichia coli
3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide	binding structure analysis	Streptococcus agalactiae
4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl hydrogen carbonate	-	Arabidopsis thaliana
4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl hydrogen carbonate	-	Escherichia coli
4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl hydrogen carbonate	-	Streptococcus agalactiae
4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate	-	Arabidopsis thaliana
4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate	-	Escherichia coli
4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate	two-step tight-binding process	Streptococcus agalactiae
actinonin	-	Arabidopsis thaliana
actinonin	-	Escherichia coli
actinonin	-	Streptococcus agalactiae
BB-83698	-	Arabidopsis thaliana
BB-83698	-	Escherichia coli
BB-83698	-	Streptococcus agalactiae
ethyl 2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxylate	-	Arabidopsis thaliana
ethyl 2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxylate	-	Escherichia coli
ethyl 2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxylate	-	Streptococcus agalactiae
GSK1322322	-	Arabidopsis thaliana
GSK1322322	-	Escherichia coli
GSK1322322	-	Streptococcus agalactiae
methyl N-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinate	-	Arabidopsis thaliana
methyl N-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinate	-	Escherichia coli
methyl N-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinate	-	Streptococcus agalactiae
additional information	inhibitor design with the enzyme as model, structure-activity relationship analysis, overview. Design and synthesis of effective specific bacterial PDF inhibitors of an oxadiazole series with potent antimicrobial activity against a multidrug-resistant clinical isolate. Determination of minimal inhibitory concentrations of oxadiazole compounds for antibacterial activity on Escherichia coli strains. Three-dimensional comparison of the binding between various PDF inhibitors and actinonin	Arabidopsis thaliana
additional information	inhibitor design with the enzyme as model, structure-activity relationship analysis, overview. Design and synthesis of effective specific bacterial PDF inhibitors of an oxadiazole series with potent antimicrobial activity against a multidrug-resistant clinical isolate. Determination of minimal inhibitory concentrations of oxadiazole compounds for antibacterial activity on Escherichia coli strains. Three-dimensional comparison of the binding between various PDF inhibitors and actinonin	Escherichia coli
additional information	inhibitor design with the enzyme as model, structure-activity relationship analysis, overview. Design and synthesis of effective specific bacterial PDF inhibitors of an oxadiazole series with potent antimicrobial activity against a multidrug-resistant clinical isolate. Determination of minimal inhibitory concentrations of oxadiazole compounds for antibacterial activity on Escherichia coli strains. Three-dimensional comparison of the binding between various PDF inhibitors and actinonin	Streptococcus agalactiae
N2-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinamide	-	Arabidopsis thaliana
N2-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinamide	-	Escherichia coli
N2-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinamide	-	Streptococcus agalactiae

Metals/Ions

Metals/Ions	Comment	Organism
Ni2+	required	Arabidopsis thaliana
Ni2+	required	Escherichia coli
Ni2+	required	Streptococcus agalactiae
Zn2+	enzyme-bound	Arabidopsis thaliana
Zn2+	enzyme-bound	Escherichia coli
Zn2+	enzyme-bound	Streptococcus agalactiae

Organism

Organism	UniProt	Comment	Textmining
Arabidopsis thaliana	Q9FUZ2	-	-
Escherichia coli	P0A6K3	-	-
Streptococcus agalactiae	Q8E378	serotype III	-
Streptococcus agalactiae NEM316	Q8E378	serotype III	-

Purification (Commentary)

Purification (Comment)	Organism
recombinant enzyme	Escherichia coli
recombinant enzyme mutant S2A from Escherichia coli strain Rosetta 2(DE3)pLysS by anion exchange chromatography, gel filtration, and ultrafiltration	Streptococcus agalactiae
recombinant isozyme 1B	Arabidopsis thaliana

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.
formyl-Met-Ala-Ser + H2O	-	Arabidopsis thaliana	formate + Met-Ala-Ser	-	?
formyl-Met-Ala-Ser + H2O	-	Escherichia coli	formate + Met-Ala-Ser	-	?
formyl-Met-Ala-Ser + H2O	-	Streptococcus agalactiae	formate + Met-Ala-Ser	-	?
formyl-Met-Ala-Ser + H2O	-	Streptococcus agalactiae NEM316	formate + Met-Ala-Ser	-	?
formylmethionine + H2O	the smallest efficient substrate of PDF	Arabidopsis thaliana	formate + methionine	-	?
formylmethionine + H2O	the smallest efficient substrate of PDF	Escherichia coli	formate + methionine	-	?
formylmethionine + H2O	the smallest efficient substrate of PDF	Streptococcus agalactiae	formate + methionine	-	?
formylmethionine + H2O	the smallest efficient substrate of PDF	Streptococcus agalactiae NEM316	formate + methionine	-	?
additional information	coupled enzyme activity assay with formate dehydrogenase	Arabidopsis thaliana	?	-	-
additional information	coupled enzyme activity assay with formate dehydrogenase	Escherichia coli	?	-	-
additional information	coupled enzyme activity assay with formate dehydrogenase	Streptococcus agalactiae	?	-	-
additional information	coupled enzyme activity assay with formate dehydrogenase	Streptococcus agalactiae NEM316	?	-	-

Subunits

Subunits	Comment	Organism
More	the core of SaPDF is composed of two alpha-helices, three 310-helices and eight beta-strands organized in two beta-sheets. In addition, SaPDF contains the typical insertions of type 2 PDFs, including an eight-amino acids loop folded as an alpha-helix and a long loop connecting strands beta2 and beta3 usually referred as the CD-loop. It also displays the classical C-terminal extended fold of type 2 PDFs. The structure is organized into two subdomains around the active site, called N- and C-terminal subdomains	Streptococcus agalactiae

Synonyms

Synonyms	Comment	Organism
AtPDF1B	-	Arabidopsis thaliana
DEF	-	Escherichia coli
DEF	-	Streptococcus agalactiae
DEF2	-	Arabidopsis thaliana
EcPDF	-	Escherichia coli
PDF	-	Arabidopsis thaliana
PDF	-	Escherichia coli
PDF	-	Streptococcus agalactiae
SaPDF	-	Streptococcus agalactiae

Temperature Optimum [°C]

Temperature Optimum [°C]	Temperature Optimum Maximum [°C]	Comment	Organism
37	-	assay at	Arabidopsis thaliana
37	-	assay at	Escherichia coli
37	-	assay at	Streptococcus agalactiae

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
7.5	-	assay at	Arabidopsis thaliana
7.5	-	assay at	Escherichia coli
7.5	-	assay at	Streptococcus agalactiae

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
0.000013	-	(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000025	-	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000029	-	2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000031	-	(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000035	-	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000038	-	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000047	-	2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000049	-	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000062	-	2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000063	-	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000064	-	actinonin	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000065	-	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000067	-	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.00007	-	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000073	-	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000075	-	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000076	-	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.00008	-	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.00008	-	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000082	-	actinonin	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana
0.000084	-	(3R)-3-[3-[([1,1'-biphenyl]-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000166	-	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000185	-	actinonin	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000238	-	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana
0.000263	-	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana
0.000285	-	2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.0004	-	(3R)-N-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]heptanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.000455	-	2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana
0.000769	-	2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000833	-	3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide	pH 7.5, 37°C, recombinant enzyme	Escherichia coli
0.000909	-	2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana
0.000909	-	2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.001	-	2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana
0.001111	-	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana
0.001428	-	3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae
0.002	-	3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.000003	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	actinonin
0.0000035	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000004	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.0000053	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	actinonin
0.000006	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide
0.000007	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide
0.000007	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide
0.0000075	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	actinonin
0.00001	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.00001	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000011	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide
0.000012	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide
0.000014	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide
0.000016	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-3-[3-[([1,1'-biphenyl]-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000017	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000017	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
0.00002	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.00002	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate
0.00002	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate
0.000023	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-3-[3-[(1,3-benzothiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000025	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-3-[3-[([1,1'-biphenyl]-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000025	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide
0.000027	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-N-hydroxy-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]heptanamide
0.00003	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-3-[3-[(1,3-benzothiazol-2-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000037	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
0.000058	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-3-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.000063	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
0.000067	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-N-hydroxy-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]heptanamide
0.000075	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl hydrogen carbonate
0.000077	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide
0.000078	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide
0.00011	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
0.00011	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide
0.00011	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	ethyl 2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxylate
0.000119	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-3-[3-[(2H-1,3-benzodioxol-5-yl)methyl]-1,2,4-oxadiazol-5-yl]-5-cyclopentyl-N-hydroxypentanamide
0.000128	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	(3R)-N-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]heptanamide
0.00015	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide
0.000155	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-N-hydroxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)heptanamide
0.00016	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-N-hydroxy-3-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]heptanamide
0.00019	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-N-hydroxy-3-(4-phenyl-1,3-oxazol-2-yl)heptanamide
0.000211	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl hydrogen carbonate
0.000215	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	(3R)-N-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]heptanamide
0.000251	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	3,3,3-trifluoro-N-[(2S)-1-[formyl(hydroxy)amino]-3-phenylpropan-2-yl]propanamide
0.0003	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-3-[3-[(1-benzofuran-3-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.00033	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	methyl N-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinate
0.00036	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	2-(5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
0.00036	-	pH 7.5, 37°C, recombinant enzyme	Streptococcus agalactiae	2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide
0.0004	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	2-(1-benzyl-5-bromo-1H-indol-3-yl)-N-hydroxyacetamide
0.00042	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	N2-[2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carbonyl]-L-valinamide
0.00046	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-N-hydroxy-3-[3-[(4-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]heptanamide
0.00048	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide
0.0005	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethoxy)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide
0.00055	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-3-[3-[([1,1'-biphenyl]-4-yl)methyl]-1,2,4-oxadiazol-5-yl]-N-hydroxyheptanamide
0.00065	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl methyl carbonate
0.000703	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	2-(3-benzyl-5-bromo-1H-indol-1-yl)-N-hydroxyacetamide
0.00074	-	pH 7.5, 37°C, recombinant enzyme	Escherichia coli	2-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,3-oxazole-4-carboxamide
0.000909	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-N-hydroxy-3-(3-[[4-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-5-yl)heptanamide
0.006	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	(3R)-N-hydroxy-3-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]heptanamide
0.0082	-	pH 7.5, 37°C, recombinant enzyme	Arabidopsis thaliana	4-([5-[(3R)-1-(hydroxyamino)-1-oxoheptan-3-yl]-1,2,4-oxadiazol-3-yl]methyl)phenyl hydrogen carbonate

General Information

General Information	Comment	Organism
additional information	SaPDF substrate binding site structure	Streptococcus agalactiae