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Information on EC 6.5.1.2 - DNA ligase (NAD+) and Organism(s) Staphylococcus aureus and UniProt Accession Q9AIU7
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6.5.1.2 DNA ligase (NAD+)IUBMB Comments
The enzyme, typically found in bacteria, catalyses the ligation of DNA strands with 3'-hydroxyl and 5'-phosphate termini, forming a phosphodiester and sealing certain types of single-strand breaks in duplex DNA. Catalysis occurs by a three-step mechanism, starting with the activation of the enzyme by NAD+, forming a phosphoramide bond between adenylate and a lysine residue. The adenylate group is then transferred to the 5'-phosphate terminus of the substrate, forming the capped structure 5'-(5'-diphosphoadenosine)-[DNA]. Finally, the enzyme catalyses a nucleophilic attack of the 3'-OH terminus on the capped terminus, which results in formation of the phosphodiester bond and release of the adenylate. RNA can also act as substrate, to some extent. cf. EC 6.5.1.1, DNA ligase (ATP), EC 6.5.1.6, DNA ligase (ATP or NAD+), and EC 6.5.1.7, DNA ligase (ATP, ADP or GTP).
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Word Map
- 6.5.1.2
- ligases
- nick
- medicine
-
nick-closing
-
helix-hairpin-helix
- filiformis
- analysis
- synthesis
- biotechnology
The taxonomic range for the selected organisms is: Staphylococcus aureus
The enzyme appears in selected viruses and cellular organisms
The enzyme appears in selected viruses and cellular organisms
Reaction Schemes
hide(Overall reactions are displayed. Show all >>)
+
+
=
+
+
+
+
5'-phospho-(deoxyribonucleotide)m
=
+
+
beta-nicotinamide D-nucleotide
Synonyms
nad(+)-dependent dna ligase, taq dna ligase, nad+-dependent dna ligase, nad-dependent dna ligase, tfi dna ligase, tth dna ligase, mimilig, mtuliga, wbm-liga, polynucleotide synthetase, 
more
topSYNONYM 
ORGANISM
UNIPROT
COMMENTARY 
LITERATURE
Deoxyribonucleate ligase
-
-
-
-
Deoxyribonucleic acid joinase
-
-
-
-
Deoxyribonucleic acid ligase
-
-
-
-
Deoxyribonucleic joinase
-
-
-
-
Deoxyribonucleic ligase
-
-
-
-
Deoxyribonucleic repair enzyme
-
-
-
-
Deoxyribonucleic-joining enzyme
-
-
-
-
DNA joinase
-
-
-
-
DNA ligase
-
-
-
-
DNA ligase (NAD)
-
-
-
-
DNA repair enzyme
-
-
-
-
DNA-joining enzyme
-
-
-
-
Ligase, polynucleotide (nicotinamide adenine dinucleotide)
-
-
-
-
Polydeoxyribonucleotide synthase (NAD+)
-
-
-
-
Polydeoxyribonucleotide synthase [NAD+]
-
-
-
-
Polynucleotide ligase
-
-
-
-
Polynucleotide synthetase
-
-
-
-
Polynucleotide synthetase (nicotinamide adenine dinucleotide)
-
-
-
-
Synthetase, polydeoxyribonucleotide (nicotinamide adenine dinucleotide)
-
-
-
-
Tfi DNA ligase
-
-
-
-
Tth DNA ligase
-
-
-
-
REACTION
REACTION DIAGRAM
COMMENTARY
ORGANISM
UNIPROT
LITERATURE
ATP + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m = (deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
3 steps of reaction: 1. adenylation of the ligase in the presence of NAD+, 2. transferring the adenylate moiety to the 5'-phosphate of the nicked DNA substrate, 3. sealing the nick through the formation of a phosphodiester bond
-
SYSTEMATIC NAME
IUBMB Comments
poly(deoxyribonucleotide)-3'-hydroxyl:5'-phospho-poly(deoxyribonucleotide) ligase (NAD+)
The enzyme, typically found in bacteria, catalyses the ligation of DNA strands with 3'-hydroxyl and 5'-phosphate termini, forming a phosphodiester and sealing certain types of single-strand breaks in duplex DNA. Catalysis occurs by a three-step mechanism, starting with the activation of the enzyme by NAD+, forming a phosphoramide bond between adenylate and a lysine residue. The adenylate group is then transferred to the 5'-phosphate terminus of the substrate, forming the capped structure 5'-(5'-diphosphoadenosine)-[DNA]. Finally, the enzyme catalyses a nucleophilic attack of the 3'-OH terminus on the capped terminus, which results in formation of the phosphodiester bond and release of the adenylate. RNA can also act as substrate, to some extent. cf. EC 6.5.1.1, DNA ligase (ATP), EC 6.5.1.6, DNA ligase (ATP or NAD+), and EC 6.5.1.7, DNA ligase (ATP, ADP or GTP).
CAS REGISTRY NUMBER
COMMENTARY
37259-52-2
-
SUBSTRATE
PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
Reversibility
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
AMP + beta-nicotinamide D-ribonucleotide + (deoxyribonucleotide)n+m
-
-
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m
(deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
-
-
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
-
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
-
-
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
DNA-repair, phosphodiester bond formation between adjacent 5'-phosphate and 3'-hydroxyl groups in double-stranded DNA
-
?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
acridinium-ester labelled DNA
-
-
?
NATURAL SUBSTRATE
NATURAL PRODUCT
REACTION DIAGRAM
ORGANISM
UNIPROT
COMMENTARY
(Substrate)
(Substrate)
LITERATURE
(Substrate)
(Substrate)
COMMENTARY
(Product)
(Product)
LITERATURE
(Product)
(Product)
REVERSIBILITY
r=reversible
ir=irreversible
?=not specified
r=reversible
ir=irreversible
?=not specified
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
DNA-repair, phosphodiester bond formation between adjacent 5'-phosphate and 3'-hydroxyl groups in double-stranded DNA
-
?
NAD+ + (deoxyribonucleotide)n-3'-hydroxyl + 5'-phospho-(deoxyribonucleotide)m
(deoxyribonucleotide)n+m + AMP + beta-nicotinamide D-nucleotide
-
-
-
-
?
COFACTOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
(2R,3R,4S,5R)-2-[6-amino-2-(butylsulfanyl)-4,5-dihydro-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
-
-
(2R,3R,4S,5R)-2-[6-amino-2-(cyclopentyloxy)-9H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
-
-
(2R,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl dihydrogen phosphate
-
-
(3aR,5R,6R,6aS)-5-[6-amino-2-(methylsulfanyl)-9H-purin-9-yl]-6-hydroxy-2-sulfanyltetrahydro-2H-2lambda-5-furo[2,3-d][1,3,2]dioxaphosphol-2-one
-
-
2,4-diamino-7-tert-butyl-4a,8a-dihydro-1,8-naphthyridine-3-carbonitrile
-
-
2-(cyclopentyloxy)-3',5'-dideoxy-3'-[(3,5-dichlorophenyl)methyl]adenosine
-
-
2-(cyclopentyloxy)-3',5'-dideoxy-5'-fluoro-3'-(1H-triaziren-1-yl)adenosine
-
-
2-(cyclopentyloxy)-9-[3,5-dideoxy-5-fluoro-3-(2l5-triaz-1-en-2-yn-1-yl)-b-D-xylofuranosyl]-9H-purin-6-amine
-
-
2-bromo-4-[(2-hydroxyethyl)amino]thieno[3,2-c]pyridine-7-carboxamide
-
-
3'-chloro-3',5'-dideoxy-2-[(spiro[2.2]pentan-1-yl)methoxy]adenosine
-
-
3-[[[[(2R,3S,4R,5R)-5-(6-amino-2-iodo-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxy](hydroxy)phosphoryl]carbamoyl]-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridin-1-ium
-
-
3-[[[[(2R,3S,4R,5R)-5-(6-amino-2-phenyl-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]oxy](hydroxy)phosphoryl]carbamoyl]-1-[5-O-(hydroxyphosphinato)-beta-D-ribofuranosyl]pyridin-1-ium
-
-
5'-deoxy-5'-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methoxy]adenosine
-
-
5,7-diamino-2-(2-methylpropyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-(cyclohexylmethyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-(propan-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-benzyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-cyclobutyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-cyclohexyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-cyclopentyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-cyclopropyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-methyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-phenyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(1H-imidazol-1-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(3H-1,2,4-triazol-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(3H-pyrazol-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(4-cyanobutyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(4-methyl-1H-imidazol-1-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(4H-1,2,3-triazol-4-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(5-cyanopentyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(5-cyclohexylpentyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(methylsulfanyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(pyridin-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(pyridin-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(pyridin-4-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(pyrimidin-4-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(thiophen-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-(thiophen-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-cyclopentyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-methyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-phenyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-propyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5,7-diamino-2-tert-butyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
-
-
5-(5,7-diamino-2-tert-butyl-6-cyano-4a,8a-dihydropyrido[2,3-d]pyrimidin-4-yl)thiophene-2-carboxylic acid
-
-
6-methyl-5-[(propan-2-yl)oxy][1,2,4]triazolo[1,5-a]pyrimidin-2-amine
-
-
7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
-
-
7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
-
-
9-(3-chloro-3,5-dideoxy-beta-D-xylofuranosyl)-2-(cyclopentyloxy)-9H-purin-6-amine
-
-
9-(3-chloro-3,5-dideoxy-beta-D-xylofuranosyl)-2-(spiro[2.2]pent-1-ylmethoxy)-9H-purin-6-amine
-
-
9-(3-chloro-3-deoxy-beta-D-xylofuranosyl)-2-(cyclopentyloxy)-9H-purin-6-amine
-
-
ethyl 2-(5,7-diamino-2-tert-butyl-6-cyano-4a,8a-dihydropyrido[2,3-d]pyrimidin-4-yl)-1,3-thiazole-4-carboxylate
-
-
ethyl 2-(5,7-diamino-2-tert-butyl-6-cyano-4a,8a-dihydropyrido[2,3-d]pyrimidin-4-yl)-1,3-thiazole-5-carboxylate
-
-
KM VALUE [mM]
SUBSTRATE
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
IC50 VALUE [mM]
INHIBITOR
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
IMAGE
0.000507
(2R,3R,4S,5R)-2-[6-amino-2-(butylsulfanyl)-4,5-dihydro-9H-purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00043
(2R,3R,4S,5R)-2-[6-amino-2-(cyclopentyloxy)-9H-purin-9-yl]-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.000035
2,4-diamino-7-tert-butyl-1,8-naphthyridine-3-carbonitrile
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00004
2,4-diamino-7-tert-butyl-4a,8a-dihydro-1,8-naphthyridine-3-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00017
2-(butylsulfanyl)-5'-deoxyadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00013
2-(cyclopentyloxy)-3',5'-dideoxy-3'-[(3,5-dichlorophenyl)methyl]adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00009
2-(cyclopentyloxy)-3',5'-dideoxy-5'-fluoro-3'-(1H-triaziren-1-yl)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00013
2-(cyclopentyloxy)-5'-deoxy-3'-O-(3,4-dichlorobenzyl)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00012
2-(cyclopentyloxy)-5'-deoxy-5'-fluoroadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00009
2-(cyclopentyloxy)-9-[3,5-dideoxy-5-fluoro-3-(2l5-triaz-1-en-2-yn-1-yl)-b-D-xylofuranosyl]-9H-purin-6-amine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00043
2-(cyclopentyloxy)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00038
2-(cyclopentylsulfanyl)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00043
2-(pentyloxy)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00038
2-(pentylsulfanyl)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.005
2-amino-6,7-dimethoxyquinoline-3-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.000067
2-amino[1,4]benzodioxino[2,3-b]pyridine-3-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.15
2-bromo-4-(phenylamino)thieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.18
2-bromo-4-(propylamino)thieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.2
2-bromo-4-[(2-hydroxyethyl)amino]thieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
value above, pH and temperature not specified in the publication
0.00013
2-[(bicyclo[3.1.0]hexan-3-yl)oxy]-5'-deoxyadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00004
3'-chloro-2-(cyclopentyloxy)-3',5'-dideoxyadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00011
3'-chloro-2-(cyclopentyloxy)-3'-deoxyadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00003
3'-chloro-3',5'-dideoxy-2-[(spiro[2.2]pentan-1-yl)methoxy]adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.036
4-amino-2-(1H-pyrazol-5-yl)thieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.0071
4-amino-2-bromo-3-methylthieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.048
4-amino-2-bromothieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.2
4-amino-2-methylthieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
value above, pH and temperature not specified in the publication
0.2
4-amino-3-(1H-pyrazol-5-yl)thieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
value above, pH and temperature not specified in the publication
0.039
4-amino-3-bromothieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.2
4-amino-3-methylthieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
value above, pH and temperature not specified in the publication
0.075
4-amino-N2-ethylthieno[3,2-c]pyridine-2,7-dicarboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.015
4-aminothieno[3,2-c]pyridine-2,7-dicarboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.069
4-aminothieno[3,2-c]pyridine-3,7-dicarboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.2
4-aminothieno[3,2-c]pyridine-7-carboxamide
Staphylococcus aureus
-
value above, pH and temperature not specified in the publication
0.00012
5'-deoxy-2-(pentyloxy)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.000082
5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
Staphylococcus aureus
-
pH 7.5, 22°C
0.00014
5'-deoxy-2-phenoxyadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00006
5'-deoxy-2-[(spiro[2.2]pentan-1-yl)methoxy]adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00016
5'-deoxy-2-[(trans-4-methylcyclohexyl)oxy]adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00012
5'-deoxy-5'-fluoro-2-(pentyloxy)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00091
5'-deoxy-5'-fluoro-2-[(1,3-thiazol-2-yl)methoxy]adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.000106
5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
Staphylococcus aureus
-
pH 7.5, 22°C
0.00037
5'-deoxy-5'-fluoro-2-[[1-(hydroxymethyl)cyclopropyl]methoxy]adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.0011
5,7-diamino-2-(2-methylpropyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.0037
5,7-diamino-2-(cyclohexylmethyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00041
5,7-diamino-2-(propan-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.01
5,7-diamino-2-benzyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00069
5,7-diamino-2-cyclobutyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00081
5,7-diamino-2-cyclohexyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00047
5,7-diamino-2-cyclopentyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00067
5,7-diamino-2-cyclopropyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.0015
5,7-diamino-2-methyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00097
5,7-diamino-2-phenyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.000057
5,7-diamino-2-tert-butyl-4-(1,3-thiazol-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.000036
5,7-diamino-2-tert-butyl-4-(1H-imidazol-1-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00027
5,7-diamino-2-tert-butyl-4-(3H-1,2,4-triazol-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.0001
5,7-diamino-2-tert-butyl-4-(3H-pyrazol-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00011
5,7-diamino-2-tert-butyl-4-(4,5-dihydro-1,3-oxazol-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00026
5,7-diamino-2-tert-butyl-4-(4-cyanobutyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.000068
5,7-diamino-2-tert-butyl-4-(4-methyl-1H-imidazol-1-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.000042
5,7-diamino-2-tert-butyl-4-(4H-1,2,3-triazol-4-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00035
5,7-diamino-2-tert-butyl-4-(5-cyanopentyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.0016
5,7-diamino-2-tert-butyl-4-(5-cyclohexylpentyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.000059
5,7-diamino-2-tert-butyl-4-(methylsulfanyl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00101
5,7-diamino-2-tert-butyl-4-(pyridin-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00043
5,7-diamino-2-tert-butyl-4-(pyridin-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.0004
5,7-diamino-2-tert-butyl-4-(pyridin-4-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00144
5,7-diamino-2-tert-butyl-4-(pyrimidin-4-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00016
5,7-diamino-2-tert-butyl-4-(thiophen-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00074
5,7-diamino-2-tert-butyl-4-(thiophen-3-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00012
5,7-diamino-2-tert-butyl-4-cyclopentyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00022
5,7-diamino-2-tert-butyl-4-methyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00047
5,7-diamino-2-tert-butyl-4-phenyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00011
5,7-diamino-2-tert-butyl-4-propyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.000084
5,7-diamino-2-tert-butyl-4-[4-(hydroxymethyl)-1,3-thiazol-2-yl]-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00017
5,7-diamino-2-tert-butyl-4-[4-(methoxymethyl)-1,3-thiazol-2-yl]-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00022
5,7-diamino-2-tert-butyl-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00055
5-(5,7-diamino-2-tert-butyl-6-cyano-4a,8a-dihydropyrido[2,3-d]pyrimidin-4-yl)thiophene-2-carboxylic acid
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.094
5-amino-3-(furan-2-yl)-1H-1,2,4-triazole-1-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.025
6-methyl-5-[(propan-2-yl)oxy][1,2,4]triazolo[1,5-a]pyrimidin-2-amine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.000077
7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carboxamide
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.00024
7-amino-2-tert-butyl-4-(1H-pyrrol-2-yl)pyrido[2,3-d]pyrimidine-6-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.028
8-hydroxy-2-methyl-3,4-dihydroquinoline-6-carboxamide
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.61
8-hydroxyquinoline-2-carboxylic acid
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00004
9-(3-chloro-3,5-dideoxy-beta-D-xylofuranosyl)-2-(cyclopentyloxy)-9H-purin-6-amine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00003
9-(3-chloro-3,5-dideoxy-beta-D-xylofuranosyl)-2-(spiro[2.2]pent-1-ylmethoxy)-9H-purin-6-amine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00011
9-(3-chloro-3-deoxy-beta-D-xylofuranosyl)-2-(cyclopentyloxy)-9H-purin-6-amine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00053
ethyl 2-(5,7-diamino-2-tert-butyl-6-cyano-4a,8a-dihydropyrido[2,3-d]pyrimidin-4-yl)-1,3-thiazole-4-carboxylate
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.2
ethyl 2-(5,7-diamino-2-tert-butyl-6-cyano-4a,8a-dihydropyrido[2,3-d]pyrimidin-4-yl)-1,3-thiazole-5-carboxylate
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.0089
ethyl 4-amino-7-carbamoylthieno[3,2-c]pyridine-2-carboxylate
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00008
2-(butylsulfanyl)adenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.00006
2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.000076
2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
Staphylococcus aureus
-
pH 7.5, 22°C
0.00012
2-(cyclopentyloxy)-5'-deoxyadenosine
Staphylococcus aureus
-
pH and temperature not specified in the publication
0.0005
5,7-diamino-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
0.013
5,7-diamino-4a,8a-dihydropyrido[2,3-d]pyrimidine-6-carbonitrile
Staphylococcus aureus
-
at pH 7.4 and 20°C
pH OPTIMUM
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
ORGANISM
COMMENTARY
LITERATURE
UNIPROT
SEQUENCE DB
SOURCE
UNIPROT
ENTRY NAME
ORGANISM
NO. OF AA
NO. OF TRANSM. HELICES
MOLECULAR WEIGHT[Da]
SOURCE
SEQUENCE
LOCALIZATION PREDICTION
The reliability class of the localization prediction ranges from 1 (very reliable) to 5 (not reliable).
The reliability class of the localization prediction ranges from 1 (very reliable) to 5 (not reliable). PDB
SCOP
CATH
UNIPROT
ORGANISM
MOLECULAR WEIGHT
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
CRYSTALLIZATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
hanging drop vapor diffusion method, using 2.1-2.5 M ammonium sulfate and 0.1 M MES or HEPES pH 6.8-7.5
PROTEIN VARIANTS
ORGANISM
UNIPROT
COMMENTARY
LITERATURE
additional information
-
no ligation activity when both fragments are mixed together
PURIFICATION (Commentary)
ORGANISM
UNIPROT
LITERATURE
HisTrap FF column chromatography, hydroxyapatite type I column chromatography, and HiPrep Q column chromatography
CLONED (Commentary)
ORGANISM
UNIPROT
LITERATURE
REF.
AUTHORS
TITLE
JOURNAL
VOL.
PAGES
YEAR
ORGANISM (UNIPROT)
PUBMED ID
SOURCE
Kaczmarek, F.S.; Zaniewski, R.P.; Gootz, T.D.; Danley, D.E.; Mansour, M.N.; Griffor, M.; Kamath, A.V.; Cronan, M.; Mueller, J.; Sun, D.; Martin, P.K.; Benton, B.; McDowell, L.; Biek, D.; Schmid, M.B.
Cloning and functional characterization of an NAD(+)-dependent DNA ligase from Staphylococcus aureus
J. Bacteriol.
183
3016-3024
2001
Staphylococcus aureus
Gul, S.; Brown, R.; May, E.; Mazzulla, M.; Smyth, M.G.; Berry, C.; Morby, A.; Powell, D.J.
Staphylococcus aureus DNA ligase: characterization of its kinetics of catalysis and development of a high-throughput screening compatible chemiluminescent hybridization protection assay
Biochem. J.
383
551-559
2004
Staphylococcus aureus
Han, S.; Chang, J.S.; Griffor, M.
Structure of the adenylation domain of NAD+-dependent DNA ligase from Staphylococcus aureus
Acta Crystallogr. Sect. F
65
1078-1082
2009
Staphylococcus aureus (Q9AIU7), Staphylococcus aureus
Mills, S.D.; Eakin, A.E.; Buurman, E.T.; Newman, J.V.; Gao, N.; Huynh, H.; Johnson, K.D.; Lahiri, S.; Shapiro, A.B.; Walkup, G.K.; Yang, W.; Stokes, S.S.
Novel bacterial NAD+-dependent DNA ligase inhibitors with broad-spectrum activity and antibacterial efficacy in vivo
Antimicrob. Agents Chemother.
55
1088-1096
2011
Escherichia coli, Escherichia coli MG1655, Haemophilus influenzae, Haemophilus influenzae KW20, Mycoplasma pneumoniae, Mycoplasma pneumoniae M29, Staphylococcus aureus, Staphylococcus aureus RN4220, Streptococcus pneumoniae
Stokes, S.S.; Huynh, H.; Gowravaram, M.; Albert, R.; Cavero-Tomas, M.; Chen, B.; Harang, J.; Loch, J.T.; Lu, M.; Mullen, G.B.; Zhao, S.; Liu, C.F.; Mills, S.D.
Discovery of bacterial NAD+-dependent DNA ligase inhibitors: optimization of antibacterial activity
Bioorg. Med. Chem. Lett.
21
4556-4560
2011
Streptococcus pneumoniae, Staphylococcus aureus
Murphy-Benenato, K.; Wang, H.; McGuire, H.M.; Davis, H.E.; Gao, N.; Prince, D.B.; Jahic, H.; Stokes, S.S.; Boriack-Sjodin, P.A.
Identification through structure-based methods of a bacterial NAD(+)-dependent DNA ligase inhibitor that avoids known resistance mutations
Bioorg. Med. Chem. Lett.
24
360-366
2014
Streptococcus pneumoniae, Enterococcus faecalis, Haemophilus influenzae, Staphylococcus aureus
Murphy-Benenato, K.E.; Gingipalli, L.; Boriack-Sjodin, P.A.; Martinez-Botella, G.; Carcanague, D.; Eyermann, C.J.; Gowravaram, M.; Harang, J.; Hale, M.R.; Ioannidis, G.; Jahic, H.; Johnstone, M.; Kutschke, A.; Laganas, V.A.; Loch, J.T.; Miller, M.D.; Oguto, H.; Patel, S.J.
Negishi cross-coupling enabled synthesis of novel NAD+-dependent DNA ligase inhibitors and SAR development
Bioorg. Med. Chem. Lett.
25
5172-5177
2015
Streptococcus pneumoniae, Escherichia coli, Haemophilus influenzae, Staphylococcus aureus, Haemophilus influenzae ARM158, Escherichia coli ARC524, Streptococcus pneumoniae ARC548, Staphylococcus aureus ARC561
Pergolizzi, G.; Wagner, G.K.; Bowater, R.P.
Biochemical and structural characterisation of DNA ligases from bacteria and archaea
Biosci. Rep.
36
e00391
2016
Streptococcus pneumoniae, Escherichia coli, Haemophilus influenzae, Staphylococcus aureus, Mycobacterium tuberculosis, Mycoplasma pneumoniae
Hale, M.; Brassington, C.; Carcanague, D.; Embrey, K.; Eyermann, C.; Giacobbe, R.; Gingipalli, L.; Gowravaram, M.; Harang, J.; Howard, T.; Ioannidis, G.; Jahic, H.; Kutschke, A.; Laganas, V.; Loch, J.; Miller, M.; Murphy-Benenato, K.; Oguto, H.; Otterbein, L-; Patel, S.J.; Sapiro, A.B.; Boriack-Sjodin, A.
From fragments to leads Novel bacterial NAD+-dependent DNA ligase inhibitors
Tetrahedron Lett.
56
3108-3112
2015
Streptococcus pneumoniae, Staphylococcus aureus, Haemophilus influenzae (P43813), Streptococcus pneumoniae ATCC 10813, Staphylococcus aureus ATCC 29213
-
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