6N96

Methylmalonyl-CoA decarboxylase in complex with 2-sulfonate-propionyl-oxa(dethia)-CoA

Summary for 6N96

Entry DOI	10.2210/pdb6n96/pdb
Related	1EF8 1EF9
Descriptor	Methylmalonyl-CoA decarboxylase, (2~{S})-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]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, (2~{R})-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]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid, ... (5 entities in total)
Functional Keywords	crotonase, beta-keto, isostere, lyase
Biological source	Escherichia coli (strain K12)
Total number of polymer chains	6
Total formula weight	187638.76
Authors	Stunkard, L.M.,Dixon, A.D.,Huth, T.J.,Lohman, J.R. (deposition date: 2018-11-30, release date: 2019-04-10, Last modification date: 2023-10-11)
Primary citation	Stunkard, L.M.,Dixon, A.D.,Huth, T.J.,Lohman, J.R. Sulfonate/Nitro Bearing Methylmalonyl-Thioester Isosteres Applied to Methylmalonyl-CoA Decarboxylase Structure-Function Studies. J. Am. Chem. Soc., 141:5121-5124, 2019 Cited by PubMed: 30869886 DOI: 10.1021/jacs.9b00650 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.7 Å)

Structure validation