3RC9

Crystal Structure of the K102A mutant of KijD10, a 3-ketoreductase from Actinomadura kijaniata in complex with TDP-benzene and NADP

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Sugar 3-ketoreductase	polymer	350	39204.2	1	UniProt (B3TMR8) Pfam (PF01408) Pfam (PF22725) In PDB	Actinomadura kijaniata
2	A	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	A	CHLORIDE ION	non-polymer		35.5	1	Chemie (CL)
4	A	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	A	PHOSPHATE ION	non-polymer		95.0	1	Chemie (PO4)
6	A	5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine	non-polymer		478.3	2	Chemie (TLO)
7		water	water		18.0	199	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
Ala 102	Lys 102	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	39204.2
Non-Polymers*	Number of molecules	6
	Total formula weight	1853.4
All*	Total formula weight	41057.6

*Water molecules are not included.