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Literature summary for 6.5.1.2 extracted from

  • 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 (2011), Antimicrob. Agents Chemother., 55, 1088-1096.
    View publication on PubMedView publication on EuropePMC
Search for more literature for 6.5.1.2

Cloned(Commentary)

Cloned (Comment) Organism
expressed in Escherichia coli BL21(DE3) cells Staphylococcus aureus
expressed in Escherichia coli BL21(DE3) cells Haemophilus influenzae
expressed in Escherichia coli BL21(DE3) cells Escherichia coli
expressed in Escherichia coli BL21(DE3) cells Streptococcus pneumoniae
expressed in Escherichia coli BL21(DE3) cells Mycoplasma pneumoniae

Inhibitors

Inhibitors Comment Organism Structure
2-(butylsulfanyl)adenosine
-
 Escherichia coli
2-(butylsulfanyl)adenosine
-
 Haemophilus influenzae
2-(butylsulfanyl)adenosine
-
 Mycoplasma pneumoniae
2-(butylsulfanyl)adenosine
-
 Staphylococcus aureus
2-(butylsulfanyl)adenosine
-
 Streptococcus pneumoniae
2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Escherichia coli
2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Haemophilus influenzae
2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Mycoplasma pneumoniae
2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Staphylococcus aureus
2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Streptococcus pneumoniae
2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Escherichia coli
2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Haemophilus influenzae
2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Mycoplasma pneumoniae
2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Staphylococcus aureus
2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Streptococcus pneumoniae
5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Escherichia coli
5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Haemophilus influenzae
5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Mycoplasma pneumoniae
5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Staphylococcus aureus
5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Streptococcus pneumoniae
5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Escherichia coli
5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Haemophilus influenzae
5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Mycoplasma pneumoniae
5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Staphylococcus aureus
5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Streptococcus pneumoniae

Organism

Organism UniProt Comment Textmining
Escherichia coli
-
-
-
Escherichia coli MG1655
-
-
-
Haemophilus influenzae
-
-
-
Haemophilus influenzae KW20
-
-
-
Mycoplasma pneumoniae
-
-
-
Mycoplasma pneumoniae M29
-
-
-
Staphylococcus aureus
-
-
-
Staphylococcus aureus RN4220
-
-
-
Streptococcus pneumoniae
-
-
-

Purification (Commentary)

Purification (Comment) Organism
-
 Staphylococcus aureus
-
 Haemophilus influenzae
-
 Escherichia coli
-
 Streptococcus pneumoniae
-
 Mycoplasma pneumoniae

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Staphylococcus aureus AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Haemophilus influenzae AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Escherichia coli AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Streptococcus pneumoniae AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Mycoplasma pneumoniae AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Mycoplasma pneumoniae M29 AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Escherichia coli MG1655 AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Haemophilus influenzae KW20 AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?
NAD+ + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
 Staphylococcus aureus RN4220 AMP + nicotinamide nucleotide + (deoxyribonucleotide)n+m
-
 ?

Synonyms

Synonyms Comment Organism
LigA
-
 Staphylococcus aureus
LigA
-
 Haemophilus influenzae
LigA
-
 Escherichia coli
LigA
-
 Streptococcus pneumoniae
LigA
-
 Mycoplasma pneumoniae
NAD+-dependent DNA ligase
-
 Staphylococcus aureus
NAD+-dependent DNA ligase
-
 Haemophilus influenzae
NAD+-dependent DNA ligase
-
 Escherichia coli
NAD+-dependent DNA ligase
-
 Streptococcus pneumoniae
NAD+-dependent DNA ligase
-
 Mycoplasma pneumoniae

Cofactor

Cofactor Comment Organism Structure
NAD+
-
 Staphylococcus aureus
NAD+
-
 Haemophilus influenzae
NAD+
-
 Escherichia coli
NAD+
-
 Streptococcus pneumoniae
NAD+
-
 Mycoplasma pneumoniae

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00001
-
 IC50 less 0.00001 mM, pH 7.5, 22°C Streptococcus pneumoniae 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
0.000019
-
 pH 7.5, 22°C Streptococcus pneumoniae 2-(cyclopentyloxy)-5'-deoxyadenosine
0.000021
-
 pH 7.5, 22°C Streptococcus pneumoniae 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
0.000038
-
 pH 7.5, 22°C Haemophilus influenzae 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
0.000039
-
 pH 7.5, 22°C Haemophilus influenzae 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
0.000052
-
 pH 7.5, 22°C Haemophilus influenzae 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
0.00006
-
 pH 7.5, 22°C Mycoplasma pneumoniae 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
0.000062
-
 pH 7.5, 22°C Streptococcus pneumoniae 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
0.000063
-
 pH 7.5, 22°C Mycoplasma pneumoniae 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
0.000075
-
 pH 7.5, 22°C Streptococcus pneumoniae 2-(butylsulfanyl)adenosine
0.000076
-
 pH 7.5, 22°C Staphylococcus aureus 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
0.000076
-
 pH 7.5, 22°C Haemophilus influenzae 2-(cyclopentyloxy)-5'-deoxyadenosine
0.000081
-
 pH 7.5, 22°C Mycoplasma pneumoniae 2-(butylsulfanyl)adenosine
0.000082
-
 pH 7.5, 22°C Staphylococcus aureus 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
0.000106
-
 pH 7.5, 22°C Staphylococcus aureus 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
0.000112
-
 pH 7.5, 22°C Staphylococcus aureus 2-(cyclopentyloxy)-5'-deoxyadenosine
0.000117
-
 pH 7.5, 22°C Mycoplasma pneumoniae 2-(cyclopentyloxy)-5'-deoxyadenosine
0.000136
-
 pH 7.5, 22°C Haemophilus influenzae 2-(butylsulfanyl)adenosine
0.000158
-
 pH 7.5, 22°C Escherichia coli 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
0.000158
-
 pH 7.5, 22°C Mycoplasma pneumoniae 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
0.00018
-
 pH 7.5, 22°C Escherichia coli 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
0.00032
-
 pH 7.5, 22°C Escherichia coli 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
0.00037
-
 pH 7.5, 22°C Escherichia coli 2-(cyclopentyloxy)-5'-deoxyadenosine
0.000507
-
 pH 7.5, 22°C Staphylococcus aureus 2-(butylsulfanyl)adenosine
0.00127
-
 pH 7.5, 22°C Escherichia coli 2-(butylsulfanyl)adenosine