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TitleKinetically and Crystallographically Guided Mutations of a Benzoate CoA Ligase (BadA) Elucidate Mechanism and Expand Substrate Permissivity.
Journal, issue, pagesBiochemistry, Vol. 54, Page 6230-6242, Year 2015
Publish dateMar 22, 2012 (structure data deposition date)
AuthorsThornburg, C.K. / Wortas-Strom, S. / Nosrati, M. / Geiger, J.H. / Walker, K.D.
External linksBiochemistry / PubMed:26378464
MethodsX-ray diffraction
Resolution1.63 - 1.798 Å
Structure data

PDB-4eat:
Crystal structure of a benzoate coenzyme A ligase
Method: X-RAY DIFFRACTION / Resolution: 1.798 Å

PDB-4rlf:
Crystal structure of a benzoate coenzyme A ligase with p-Toluic acid and o-Toluic acid
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

PDB-4rlq:
Crystal structure of a benzoate coenzyme A ligase with o-Toluic acid
Method: X-RAY DIFFRACTION / Resolution: 1.63 Å

PDB-4rm2:
Crystal structure of a benzoate coenzyme A ligase with 2-Fluoro benzoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.77 Å

PDB-4rm3:
Crystal structure of a benzoate coenzyme A ligase with 2-Furoic acid
Method: X-RAY DIFFRACTION / Resolution: 1.76 Å

PDB-4rmn:
Crystal structure of a benzoate coenzyme A ligase with 2-Thiophene Carboxylic acid
Method: X-RAY DIFFRACTION / Resolution: 1.72 Å

PDB-4zjz:
Crystal structure of a benzoate coenzyme A ligase with Benzoyl-AMP
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-BEZ:
BENZOIC ACID

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-3SK:
2-methylbenzoic acid

ChemComp-4MA:
4-METHYLBENZOIC ACID

ChemComp-3U4:
2-fluorobenzoic acid

ChemComp-FOA:
2-FUROIC ACID

ChemComp-C21:
THIOPHENE-2-CARBOXYLIC ACID

ChemComp-OOB:
5'-O-[(R)-(benzoyloxy)(hydroxy)phosphoryl]adenosine

Source
  • rhodopseudomonas palustris (phototrophic)
KeywordsLIGASE / Substrate Specificity / Kinetics / LYASE

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