5XWV

Substrate-bound Structure of a Ketoreductase from the Second Module of the 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	AmphB	polymer	496	51424.7	2	UniProt (Q93NW7) Pfam (PF08659) In PDB	Streptomyces nodosus
2	A, B	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	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		water	water		18.0	266	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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	102849.4
Non-Polymers*	Number of molecules	4
	Total formula weight	2271.8
All*	Total formula weight	105121.2

*Water molecules are not included.