8AU8

Xenobiotic reductase A from P. putida in complex with ethyl (Z)-2-(hydroxyimino)-3-oxopentanoate

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)	Xenobiotic reductase	polymer	371	40964.1	2	UniProt (Q9R9V9) Pfam (PF00724)	Pseudomonas putida	Xenobiotic reductase A
2	C, K (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
3	D, F, L (A, B)	ethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-pentanoate	non-polymer		173.2	3	Chemie (O8I)
4	E, H, N (A, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
5	G, M (A, B)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
6	I, J (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	2	Chemie (MPD)
7	O (B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4)
8	P, Q (A, B)	water	water		18.0	753	Chemie (HOH)

Sequence modifications

A, B: 1 - 363 (UniProt: Q9R9V9)

PDB	External Database	Details
Arg 364	-	expression tag
Pro 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag
His 371	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	81928.2
Non-Polymers*	Number of molecules	13
	Total formula weight	2252.0
All*	Total formula weight	84180.2

*Water molecules are not included.