5XWW

Substrate-bound Structure of G355T/Q364H mutant of a Ketoreductase from amphotericin Polyketide Synthases

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)	AmphB	polymer	496	51478.8	2	UniProt (Q93NW7) Pfam (PF08659)	Streptomyces nodosus
2	C, E (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	D, F (A, B)	S-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(oxidanyl)butanoyl]amino]propanoylamino]ethyl] (2R)-2-methyl-3-oxidanylidene-pentanethioate	non-polymer		390.5	2	Chemie (8H6)
4	G, H (A, B)	water	water		18.0	102	Chemie (HOH)

Sequence modifications

A, B: 1 - 475 (UniProt: Q93NW7)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
Ser -10	-	expression tag
Ser -9	-	expression tag
Gly -8	-	expression tag
Leu -7	-	expression tag
Val -6	-	expression tag
Pro -5	-	expression tag
Arg -4	-	expression tag
Gly -3	-	expression tag
Ser -2	-	expression tag
His -1	-	expression tag
Met 0	-	expression tag
Thr 355	Gly 2883	engineered mutation
His 364	Gln 2892	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	102957.5
Non-Polymers*	Number of molecules	4
	Total formula weight	2267.8
All*	Total formula weight	105225.3

*Water molecules are not included.