Cloned (Comment) | Organism |
---|---|
overexpression in Escherichia coli | Mycobacterium tuberculosis |
Crystallization (Comment) | Organism |
---|---|
purified recombinant wild-type enzyme in complex with acetyl-CoA, acetoacetyl-CoA, (R,S)-ibuprofenoyl-CoA, (2S)-methylmyristoyl-CoA, or (2R)-methylmyristoyl-CoA, 22°C, hanging-drop vapor-diffusion method, with reservoir solution containing 1.52 M ammonium phosphate, 10 mM BaCl2 at pH 7.0 in 0.0066 ml drops containing a 1:1 v/v mixture of reservoir and protein solution, the latter containing 6 mg/ml in 10 mM potassium phosphate buffer, pH 8.8, X-ray diffraction structure determination and analysis at 1.6-2.3 A resolution | Mycobacterium tuberculosis |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(25-R,S)-3,7,12-trihydroxycoprostanoic acid | competitive inhibition | Mycobacterium tuberculosis | |
(R)-2-methylmyristoyl CoA | binding mode | Mycobacterium tuberculosis | |
(R,S)-ibuprofenoyl-CoA | competitive inhibition | Mycobacterium tuberculosis | |
(S)-2-methylmyristoyl CoA | binding mode | Mycobacterium tuberculosis | |
(S)-ibuprofenoyl-CoA | competitive inhibition | Mycobacterium tuberculosis | |
acetoacetyl-CoA | - |
Mycobacterium tuberculosis | |
acetyl-CoA | - |
Mycobacterium tuberculosis |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
(2S)-2-methylacyl-CoA | Mycobacterium tuberculosis | - |
(2R)-2-methylacyl-CoA | - |
r |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Mycobacterium tuberculosis | O06543 | - |
- |
Reaction | Comment | Organism | Reaction ID |
---|---|---|---|
(2S)-2-methylacyl-CoA = (2R)-2-methylacyl-CoA | reaction mechanism, overview, the catalysis of the 1,1-proton transfer by alpha-methyl-acyl-CoA racemase is coupled to a movement of the fatty acyl moiety over a hydrophobic, methionine-rich surface, the mechanism involves the acid/base-pair residues His126 and Asp156, active site geometry, the thioester oxygen atom and the 2-methyl group are in a cisconformation with respect to each other, the thioester oxygen atom fits into an oxyanion hole and the 2-methyl group points into a hydrophobic pocket, Asp127A is a prominent residue in the active site and is located at the bottom of the catalytic site | Mycobacterium tuberculosis |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
(25S)-3,7,12-trihydroxycoprostanoic acid | - |
Mycobacterium tuberculosis | (25R)-3,7,12-trihydroxycoprostanoic acid | - |
r | |
(2S)-2-methylacyl-CoA | - |
Mycobacterium tuberculosis | (2R)-2-methylacyl-CoA | - |
r | |
(2S)-2-methylacyl-CoA | substrate binding structure, the S-substrate and the R-substrate bind in an S-pocket and an R-pocket, respectively, the enzyme contains a large number of methionine residues in the acyl binding region, located between the S-pocket and the R-pocket, overview | Mycobacterium tuberculosis | (2R)-2-methylacyl-CoA | - |
r | |
(S)-ibuprofenoyl-CoA | binding mode at the active site, binding structure, overview | Mycobacterium tuberculosis | (R)-ibuprofenoyl-CoA | - |
r | |
(S)-Pristanoyl-CoA | - |
Mycobacterium tuberculosis | (R)-Pristanoyl-CoA | - |
r | |
additional information | structure of the enzyme in complex with acetyl-CoA, acetoacetyl-CoA, (R,S)-ibuprofenoyl-CoA, (2S)-methylmyristoyl-CoA, or (2R)-methylmyristoyl-CoA, overview | Mycobacterium tuberculosis | ? | - |
? |
Subunits | Comment | Organism |
---|---|---|
More | structure of the enzyme in complex with acetyl-CoA, acetoacetyl-CoA, (R,S)-ibuprofenoyl-CoA, (2S)-methylmyristoyl-CoA, or (2R)-methylmyristoyl-CoA, overview | Mycobacterium tuberculosis |
Synonyms | Comment | Organism |
---|---|---|
alpha-methylacyl coenzyme A racemase | - |
Mycobacterium tuberculosis |
MCR | - |
Mycobacterium tuberculosis |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Mycobacterium tuberculosis |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
8 | - |
assay at | Mycobacterium tuberculosis |