9C3X

Crystal structure of biphenyl synthase from Malus domestica complexed with triketide-CoA mimetic

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	BIS3 biphenyl synthase	polymer	390	43281.6	2	UniProt (K9MST3)	Malus domestica (apple)
2	C, E (A, B)	(3R)-butane-1,3-diol	non-polymer		90.1	2	Chemie (BU4)
3	D, F (A, B)	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)oxolan-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-[(3-oxo-3-{[2-(5-oxo-5-phenylpentanamido)ethyl]amino}propyl)amino]butyl dihydrogen diphosphate	non-polymer		924.7	2	Chemie (A1AUA)
4	G, H (A, B)	water	water		18.0	948	Chemie (HOH)

Sequence modifications

A, B: 1 - 388 (UniProt: K9MST3)

PDB	External Database	Details
Gly -1	-	expression tag
Ser 0	-	expression tag
Val 251	Ala 251	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86563.3
Non-Polymers*	Number of molecules	4
	Total formula weight	2029.6
All*	Total formula weight	88592.9

*Water molecules are not included.