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Structure paper

TitleMolecular basis of acyl-CoA ester recognition by alpha-methylacyl-CoA racemase from Mycobacterium tuberculosis.
Journal, issue, pagesJ. Biol. Chem., Vol. 301, Page 110302-110302, Year 2025
Publish dateJan 22, 2025 (structure data deposition date)
AuthorsMojanaga, O.O. / Woodman, T.J. / Lloyd, M.D. / Acharya, K.R.
External linksJ. Biol. Chem. / PubMed:40447188
MethodsX-ray diffraction
Resolution1.88 - 2.4 Å
Structure data

PDB-9i2t:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-9i2u:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with ibuprofenoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.17 Å

PDB-9i2v:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with fenoprofenoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.07 Å

PDB-9i2w:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with flurbiprofenoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-9i2x:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with naproxenoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2 Å

PDB-9i2z:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with 2-methyldecanoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.11 Å

PDB-9i30:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with ketoprofenoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-9i31:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with acetyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 1.88 Å

PDB-9i32:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with isobutanoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 1.94 Å

PDB-9i33:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with butanoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.02 Å

PDB-9i34:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with hexanoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 1.95 Å

PDB-9i35:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with octanoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

PDB-9i36:
Alpha-Methylacyl-CoA racemase from Mycobacterium tuberculosis in complex with decanoyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 2.08 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-HOH:
WATER

ChemComp-SFC:
(S)-IBUPROFENOYL-COENZYME A

PDB-1iy9:
Crystal structure of spermidine synthase

PDB-1iza:
ROLE OF B13 GLU IN INSULIN ASSEMBLY: THE HEXAMER STRUCTURE OF RECOMBINANT MUTANT (B13 GLU-> GLN) INSULIN

PDB-1i1o:
ROOM TEMPERATURE CRYSTAL STRUCTURE FLAVODOXIN D. VULGARIS MUTANT Y98H AT 2.0 ANG. RESOLUTION

PDB-1izb:
ROLE OF B13 GLU IN INSULIN ASSEMBLY: THE HEXAMER STRUCTURE OF RECOMBINANT MUTANT (B13 GLU-> GLN) INSULIN

PDB-1izd:
Crystal structure of Aspergillus oryzae Aspartic Proteinase

ChemComp-ACO:
ACETYL COENZYME *A

ChemComp-CO6:
ISOBUTYRYL-COENZYME A / antibiotic*YM

ChemComp-BCO:
Butyryl Coenzyme A

ChemComp-HXC:
HEXANOYL-COENZYME A

ChemComp-CO8:
OCTANOYL-COENZYME A

ChemComp-MFK:
decanoyl-CoA

Source
  • mycobacterium tuberculosis (bacteria)
KeywordsISOMERASE / CoA-transferase / epimerization / CoA-transferase family III / alpha proton exchange / homodimer / homo dimer / ibuprofenoyl-CoA / ibuprofen / fenoprofenoyl-CoA / fenoprofen / flurbiprofenoyl-CoA / flurbiprofen / naproxenoyl-CoA / naproxen / 2-methyldecanoyl-CoA / ketoprofenoyl-CoA / ketoprofen / acetyl-CoA / acetate / isobutanoyl-CoA / isobutanol / butanoyl-CoA / butanol / hexanoyl-CoA / hexanol / octanoyl-CoA / octanol / decanoyl-CoA

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