3RKR

Crystal structure of a metagenomic short-chain oxidoreductase (SDR) in complex with NADP

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 (A, B, C, D)	Short chain oxidoreductase	polymer	262	27429.3	4	UniProt (B2BKB1)	uncultured bacterium Bio5
2	E, I (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010)
3	F, G, H, J, K... (A, B, C, D)	SULFATE ION	non-polymer		96.1	13	Chemie (SO4)
4	T, U, V, W (A, B, C, D)	water	water		18.0	248	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 239 (UniProt: B2BKB1)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -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
His -7	-	expression tag
Ile -6	-	expression tag
Asp -5	-	expression tag
Asp -4	-	expression tag
Asp -3	-	expression tag
Asp -2	-	expression tag
Lys -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	109717.2
Non-Polymers*	Number of molecules	15
	Total formula weight	2735.6
All*	Total formula weight	112452.8

*Water molecules are not included.