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Structure paper

TitleSubstrate Enolate Intermediate and Mimic Captured in the Active Site of Streptomyces coelicolor Methylmalonyl-CoA Epimerase.
Journal, issue, pagesChembiochem, Vol. 23, Page e202100487-e202100487, Year 2022
Publish dateApr 3, 2020 (structure data deposition date)
AuthorsStunkard, L.M. / Benjamin, A.B. / Bower, J.B. / Huth, T.J. / Lohman, J.R.
External linksChembiochem / PubMed:34856049
MethodsX-ray diffraction
Resolution1.37 - 1.84 Å
Structure data

PDB-6wf6:
Streptomyces coelicolor methylmalonyl-CoA epimerase
Method: X-RAY DIFFRACTION / Resolution: 1.39 Å

PDB-6wf7:
Methylmalonyl-CoA epimerase in complex with methylmalonyl-CoA and NH4+
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

PDB-6wfh:
Streptomyces coelicolor methylmalonyl-CoA epimerase substrate complex
Method: X-RAY DIFFRACTION / Resolution: 1.84 Å

PDB-6wfi:
Methylmalonyl-CoA epimerase in complex with 2-nitronate-propionyl-CoA
Method: X-RAY DIFFRACTION / Resolution: 1.37 Å

Chemicals

ChemComp-CO:
Unknown entry

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

ChemComp-HOH:
WATER

ChemComp-NH4:
AMMONIUM ION

ChemComp-SO4:
SULFATE ION

ChemComp-MC0:
(S)-Methylmalonyl-Coenzyme A

ChemComp-MCA:
METHYLMALONYL-COENZYME A

ChemComp-V0V:
(3S,5R,9R,19E)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9,19-tetrahydroxy-8,8,20-trimethyl-10,14-dioxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphahenicos-19-en-21-oic acid 3,5-dioxide (non-preferred name)

ChemComp-CL:
Unknown entry

ChemComp-KFV:
[1-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-1-oxidanylidene-propan-2-ylidene]-bis(oxidanidyl)azanium

Source
  • streptomyces coelicolor (bacteria)
KeywordsISOMERASE / Epimerase / acid-base / enol / enolate

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