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Literature summary for 7.2.1.1 extracted from

  • Ito, T.; Murai, M.; Ninokura, S.; Kitazumi, Y.; Mezic, K.; Cress, B.; Koffas, M.; Morgan, J.; Barquera, B.; Miyoshi, H.
    Identification of the binding sites for ubiquinone and inhibitors in the Na+-pumping NADH-ubiquinone oxidoreductase from Vibrio cholerae by photoaffinity labeling (2017), J. Biol. Chem., 292, 7727-7742 .
No PubMed abstract available
Search for more literature for 7.2.1.1

Cloned(Commentary)

Cloned (Comment) Organism
-
 Vibrio cholerae serotype O1

Protein Variants

Protein Variants Comment Organism
E144C mutation in subunit NrqB, the inhibitory effects of and 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate are almost completely abolished, while their the binding reactivities are unchanged Vibrio cholerae serotype O1
G140A mutation in subunit NrqB, the inhibitory effects of 5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate and 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate are almost completely abolished, while their the binding reactivities are unchanged Vibrio cholerae serotype O1
G141A mutation in subunit NrqB, decrease in the inhibitory effects of koromicin and 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate Vibrio cholerae serotype O1
G38V mutation in subunit NrqA, no significant changes in the effects of inhibitors tested Vibrio cholerae serotype O1
Y36A mutation in subunit NrqA, no significant changes in the effects of inhibitors tested Vibrio cholerae serotype O1

Inhibitors

Inhibitors Comment Organism Structure
2-n-heptyl-4-hydroxyquinoline N-oxide
-
 Vibrio cholerae serotype O1
3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate
-
 Vibrio cholerae serotype O1
5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate
-
 Vibrio cholerae serotype O1
aurachin D-42 the quinolone ring and alkyl side chain of inhibitor aurachin bind to the NqrB subunit in the regions Arg-43-Lys-54 and Trp-23-Gly-89, respectively Vibrio cholerae serotype O1
korormicin
-
 Vibrio cholerae serotype O1

Organism

Organism UniProt Comment Textmining
Vibrio cholerae serotype O1 Q9KPS1 and Q9KPS2 and P0C6E0 and Q9X4Q6 and Q9X4Q7 and Q9X4Q8 Q9KPS1: subunit NqrA, Q9KPS2: subunit NqrB, P0C6E0: subunit NqrC, Q9X4Q6: subunit NqrD, Q9X4Q7: subunit NqrE, Q9X4Q8: subunit NqrF. The enzyme consists of six subunits encoded by the NQR operon.
-
Vibrio cholerae serotype O1 ATCC 39315 Q9KPS1 and Q9KPS2 and P0C6E0 and Q9X4Q6 and Q9X4Q7 and Q9X4Q8 Q9KPS1: subunit NqrA, Q9KPS2: subunit NqrB, P0C6E0: subunit NqrC, Q9X4Q6: subunit NqrD, Q9X4Q7: subunit NqrE, Q9X4Q8: subunit NqrF. The enzyme consists of six subunits encoded by the NQR operon.
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information the ubiquinone ring binds to the NqrA subunit in the regions Leu-32-Met-39 and Phe-131-Lys-138, encompassing the rear wall of a predicted ubiquinone-binding cavity. The binding sites for ubiquinone and aurachin-type inhibitors are in close proximity but do not overlap one another Vibrio cholerae serotype O1 ?
-
 ?
additional information the ubiquinone ring binds to the NqrA subunit in the regions Leu-32-Met-39 and Phe-131-Lys-138, encompassing the rear wall of a predicted ubiquinone-binding cavity. The binding sites for ubiquinone and aurachin-type inhibitors are in close proximity but do not overlap one another Vibrio cholerae serotype O1 ATCC 39315 ?
-
 ?

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0000013
-
 mutant G141A, pH 8.0, 30°C Vibrio cholerae serotype O1 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate
0.0000016
-
 wild-type, pH 8.0, 30°C Vibrio cholerae serotype O1 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate
0.000002
-
 wild-type, pH 8.0, 30°C Vibrio cholerae serotype O1 aurachin D-42
0.0000027
-
 mutant Y36A, pH 8.0, 30°C Vibrio cholerae serotype O1 aurachin D-42
0.0000028
-
 mutant G38V, pH 8.0, 30°C Vibrio cholerae serotype O1 aurachin D-42
0.0000033
-
 mutant G141A, pH 8.0, 30°C Vibrio cholerae serotype O1 aurachin D-42
0.0000033
-
 mutant Y36A, pH 8.0, 30°C Vibrio cholerae serotype O1 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate
0.000005
-
 wild-type, pH 8.0, 30°C Vibrio cholerae serotype O1 korormicin
0.0000057
-
 mutant G38V, pH 8.0, 30°C Vibrio cholerae serotype O1 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate
0.000008
-
 mutant G38V, pH 8.0, 30°C Vibrio cholerae serotype O1 korormicin
0.0000081
-
 mutant Y36A, pH 8.0, 30°C Vibrio cholerae serotype O1 korormicin
0.00001
-
 mutant E144C, pH 8.0, 30°C Vibrio cholerae serotype O1 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate
0.00059
-
 wild-type, pH 8.0, 30°C Vibrio cholerae serotype O1 5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate
0.00082
-
 mutant G141A, pH 8.0, 30°C Vibrio cholerae serotype O1 korormicin
0.00083
-
 mutant Y36A, pH 8.0, 30°C Vibrio cholerae serotype O1 5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate
0.00096
-
 mutant G38V, pH 8.0, 30°C Vibrio cholerae serotype O1 5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate
0.0012
-
 mutant G141A, pH 8.0, 30°C Vibrio cholerae serotype O1 2-n-heptyl-4-hydroxyquinoline N-oxide
0.002
-
 wild-type, pH 8.0, 30°C Vibrio cholerae serotype O1 2-n-heptyl-4-hydroxyquinoline N-oxide
0.0031
-
 mutant Y36A, pH 8.0, 30°C Vibrio cholerae serotype O1 2-n-heptyl-4-hydroxyquinoline N-oxide
0.0045
-
 mutant G38V, pH 8.0, 30°C Vibrio cholerae serotype O1 2-n-heptyl-4-hydroxyquinoline N-oxide
0.0052
-
 mutant G141A, pH 8.0, 30°C Vibrio cholerae serotype O1 5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate
0.01
-
 mutant G140A, pH 8.0, 30°C Vibrio cholerae serotype O1 3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 2-azido-5-iodobenzoate
0.012
-
 mutant E144C, pH 8.0, 30°C Vibrio cholerae serotype O1 aurachin D-42
0.012
-
 mutant G140A, pH 8.0, 30°C Vibrio cholerae serotype O1 aurachin D-42
0.027
-
 mutant E144C, pH 8.0, 30°C Vibrio cholerae serotype O1 5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate
0.027
-
 mutant G140A, pH 8.0, 30°C Vibrio cholerae serotype O1 5-azido-3-[(2E,6E)-8-hydroxy-3,7-dimethylocta-2,6-dien-1-yl]-2-methylquinolin-4(1H)-one 4-iodobenzoate
0.05
-
 mutant E144C, pH 8.0, 30°C Vibrio cholerae serotype O1 korormicin
0.05
-
 mutant G140A, pH 8.0, 30°C Vibrio cholerae serotype O1 korormicin
0.2
-
 mutant E144C, pH 8.0, 30°C Vibrio cholerae serotype O1 2-n-heptyl-4-hydroxyquinoline N-oxide
0.2
-
 mutant G140A, pH 8.0, 30°C Vibrio cholerae serotype O1 2-n-heptyl-4-hydroxyquinoline N-oxide