8U07

Imine reductase RedE bound with NADP+ and arcyriaflavin A (secondary site)

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)	RedE	polymer	315	32701.8	2	UniProt (A0A0F7G0Y4)	uncultured bacterium
2	C, P (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
3	D, N (A, B)	Arcyriaflavin A	non-polymer		325.3	2	Chemie (A7F)
4	E, M (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
5	F, L, U, V, W... (A, B)	CHLORIDE ION	non-polymer		35.5	7	Chemie (CL)
6	G, Q (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
7	H, I, J, K, R... (A, B)	IODIDE ION	non-polymer		126.9	7	Chemie (IOD)
8	O (B)	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		122.1	1	Chemie (TRS)
9	AA, Z (B, A)	water	water		18.0	586	Chemie (HOH)

Sequence modifications

A, B: 1 - 295 (UniProt: A0A0F7G0Y4)

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	2
	Total formula weight	65403.7
Non-Polymers*	Number of molecules	23
	Total formula weight	3566.2
All*	Total formula weight	68969.9

*Water molecules are not included.