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Literature summary 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

Cloned(Commentary)

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

Inhibitors

EC Number Inhibitors Comment Organism Structure
6.5.1.2 2-(butylsulfanyl)adenosine
-
 Escherichia coli
6.5.1.2 2-(butylsulfanyl)adenosine
-
 Haemophilus influenzae
6.5.1.2 2-(butylsulfanyl)adenosine
-
 Mycoplasma pneumoniae
6.5.1.2 2-(butylsulfanyl)adenosine
-
 Staphylococcus aureus
6.5.1.2 2-(butylsulfanyl)adenosine
-
 Streptococcus pneumoniae
6.5.1.2 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Escherichia coli
6.5.1.2 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Haemophilus influenzae
6.5.1.2 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Mycoplasma pneumoniae
6.5.1.2 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Staphylococcus aureus
6.5.1.2 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
-
 Streptococcus pneumoniae
6.5.1.2 2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Escherichia coli
6.5.1.2 2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Haemophilus influenzae
6.5.1.2 2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Mycoplasma pneumoniae
6.5.1.2 2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Staphylococcus aureus
6.5.1.2 2-(cyclopentyloxy)-5'-deoxyadenosine
-
 Streptococcus pneumoniae
6.5.1.2 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Escherichia coli
6.5.1.2 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Haemophilus influenzae
6.5.1.2 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Mycoplasma pneumoniae
6.5.1.2 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Staphylococcus aureus
6.5.1.2 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
-
 Streptococcus pneumoniae
6.5.1.2 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Escherichia coli
6.5.1.2 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Haemophilus influenzae
6.5.1.2 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Mycoplasma pneumoniae
6.5.1.2 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Staphylococcus aureus
6.5.1.2 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
-
 Streptococcus pneumoniae

Organism

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

Purification (Commentary)

EC Number Purification (Comment) Organism
6.5.1.2
-
 Staphylococcus aureus
6.5.1.2
-
 Haemophilus influenzae
6.5.1.2
-
 Escherichia coli
6.5.1.2
-
 Streptococcus pneumoniae
6.5.1.2
-
 Mycoplasma pneumoniae

Substrates and Products (Substrate)

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

Synonyms

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

Cofactor

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

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
6.5.1.2 0.00001
-
 IC50 less 0.00001 mM, pH 7.5, 22°C Streptococcus pneumoniae 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
6.5.1.2 0.000019
-
 pH 7.5, 22°C Streptococcus pneumoniae 2-(cyclopentyloxy)-5'-deoxyadenosine
6.5.1.2 0.000021
-
 pH 7.5, 22°C Streptococcus pneumoniae 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
6.5.1.2 0.000038
-
 pH 7.5, 22°C Haemophilus influenzae 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
6.5.1.2 0.000039
-
 pH 7.5, 22°C Haemophilus influenzae 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
6.5.1.2 0.000052
-
 pH 7.5, 22°C Haemophilus influenzae 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
6.5.1.2 0.00006
-
 pH 7.5, 22°C Mycoplasma pneumoniae 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
6.5.1.2 0.000062
-
 pH 7.5, 22°C Streptococcus pneumoniae 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
6.5.1.2 0.000063
-
 pH 7.5, 22°C Mycoplasma pneumoniae 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
6.5.1.2 0.000075
-
 pH 7.5, 22°C Streptococcus pneumoniae 2-(butylsulfanyl)adenosine
6.5.1.2 0.000076
-
 pH 7.5, 22°C Staphylococcus aureus 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
6.5.1.2 0.000076
-
 pH 7.5, 22°C Haemophilus influenzae 2-(cyclopentyloxy)-5'-deoxyadenosine
6.5.1.2 0.000081
-
 pH 7.5, 22°C Mycoplasma pneumoniae 2-(butylsulfanyl)adenosine
6.5.1.2 0.000082
-
 pH 7.5, 22°C Staphylococcus aureus 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
6.5.1.2 0.000106
-
 pH 7.5, 22°C Staphylococcus aureus 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
6.5.1.2 0.000112
-
 pH 7.5, 22°C Staphylococcus aureus 2-(cyclopentyloxy)-5'-deoxyadenosine
6.5.1.2 0.000117
-
 pH 7.5, 22°C Mycoplasma pneumoniae 2-(cyclopentyloxy)-5'-deoxyadenosine
6.5.1.2 0.000136
-
 pH 7.5, 22°C Haemophilus influenzae 2-(butylsulfanyl)adenosine
6.5.1.2 0.000158
-
 pH 7.5, 22°C Escherichia coli 2-(cyclobutylmethoxy)-5'-deoxy-5'-fluoroadenosine
6.5.1.2 0.000158
-
 pH 7.5, 22°C Mycoplasma pneumoniae 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
6.5.1.2 0.00018
-
 pH 7.5, 22°C Escherichia coli 5'-deoxy-2-(spiro[2.2]pent-1-ylmethoxy)adenosine
6.5.1.2 0.00032
-
 pH 7.5, 22°C Escherichia coli 5'-deoxy-5'-fluoro-2-[(trans-4-methylcyclohexyl)oxy]adenosine
6.5.1.2 0.00037
-
 pH 7.5, 22°C Escherichia coli 2-(cyclopentyloxy)-5'-deoxyadenosine
6.5.1.2 0.000507
-
 pH 7.5, 22°C Staphylococcus aureus 2-(butylsulfanyl)adenosine
6.5.1.2 0.00127
-
 pH 7.5, 22°C Escherichia coli 2-(butylsulfanyl)adenosine