3RC1

Crystal Structure of KijD10, a 3-ketoreductase from Actinomadura kijaniata incomplex with NADP and TDP-benzene

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Sugar 3-ketoreductase	polymer	350	39262.3	1	UniProt (B3TMR8)	Actinomadura kijaniata
2	B (A)	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4) PubChem (1061)
3	C (A)	5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine	non-polymer		478.3	1	Chemie (TLO) PubChem (49795069)
4	D (A)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP) PubChem (5885) PubChem (46936685) PubChem (71717786) PubChem (4412) PubChem (90473931) PubChem (91972139) PubChem (145946263) PubChem (153311489) PubChem (174001641) PubChem (165382010)
5	E (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA) PubChem (923)
6	F (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
7	G, H (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL) PubChem (312)
8	I (A)	water	water		18.0	377	Chemie (HOH)

Sequence modifications

A: 1 - 332 (UniProt: B3TMR8)

PDB	External Database	Details
Met -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
Ser -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	39262.3
Non-Polymers*	Number of molecules	7
	Total formula weight	1472.6
All*	Total formula weight	40734.9

*Water molecules are not included.