8JWK

The second purified state crystal structure of AKRtyl

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, B, C, D, E...)	Aldo/keto reductase	polymer	351	38465.1	16	UniProt (A0A3R7J519) Pfam (PF00248)	Streptomyces xinghaiensis
2	Q, R, T, U, V... (D, H, J, L, N...)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	6	Chemie (NDP)
3	S (I)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
4	AA, BA, CA, DA, EA... (D, E, F, G, H...)	water	water		18.0	1638	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P: 1 - 331 (UniProt: A0A3R7J519)

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	16
	Total formula weight	615441.2
Non-Polymers*	Number of molecules	7
	Total formula weight	4594.7
All*	Total formula weight	620035.9

*Water molecules are not included.