5TII

Comprehensive Analysis of a Novel Ketoreductase for Pentangular Polyphenol Biosynthesis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, D, E, G, H...)	3-oxoacyl-ACP reductase	polymer	272	29060.0	8	UniProt (A0A023PKG5)	uncultured bacterium
2	I, J, K (E, B, F)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	3	Chemie (NDP)
3	L, M, N, O, P... (A, D, E, G, H...)	water	water		18.0	441	Chemie (HOH)

Sequence modifications

A, D, E, G, H, B, C, F: 1 - 252 (UniProt: A0A023PKG5)

PDB	External Database	Details
Met -19	-	initiating methionine
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	232479.8
Non-Polymers*	Number of molecules	3
	Total formula weight	2236.3
All*	Total formula weight	234716.0

*Water molecules are not included.