5D3Z

Crystal structure of the thioesterase domain of deoxyerythronolide B synthase in complex with a small phosphonate inhibitor

Summary for 5D3Z

Entry DOI	10.2210/pdb5d3z/pdb
Descriptor	Erythronolide synthase, modules 5 and 6, prop-2-en-1-ylphosphonic acid, PENTAETHYLENE GLYCOL, ... (5 entities in total)
Functional Keywords	thioesterase domaine alpha / beta hydrolase fold deoxyerythronolide b synthase allyl phosphonate inhibitor, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Saccharopolyspora erythraea
Total number of polymer chains	1
Total formula weight	29181.56
Authors	Bergeret, F.,Argyropoulos, P.,Boddy, C.N.,Schmeing, T.M. (deposition date: 2015-08-06, release date: 2015-12-09, Last modification date: 2023-09-27)
Primary citation	Argyropoulos, P.,Bergeret, F.,Pardin, C.,Reimer, J.M.,Pinto, A.,Boddy, C.N.,Schmeing, T.M. Towards a characterization of the structural determinants of specificity in the macrocyclizing thioesterase for deoxyerythronolide B biosynthesis. Biochim.Biophys.Acta, 1860:486-497, 2015 Cited by PubMed: 26592346 DOI: 10.1016/j.bbagen.2015.11.007 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.1 Å)

Structure validation