8AUH

Xenobiotic reductase A Y27F variant in complex with ethyl (Z)-2-(hydroxyimino)-3-oxobutanoate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	NADH:flavin oxidoreductase	polymer	371	40936.0	2	UniProt (Q9R9V9) Pfam (PF00724) In PDB	Pseudomonas putida	Xenobiotic reductase,Xenobiotic reductase A
2	A, B	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
3	A, B	ethyl (2Z)-2-hydroxyimino-3-oxidanylidene-butanoate	non-polymer		159.1	2	Chemie (L9I)
4	A, B	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	3	Chemie (MPD)
5	B	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	non-polymer		238.3	1	Chemie (EPE)
6		water	water		18.0	803	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Phe 27	Tyr 27	engineered mutation
Leu 364	-	expression tag
Glu 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	81872.1
Non-Polymers*	Number of molecules	8
	Total formula weight	1823.8
All*	Total formula weight	83695.9

*Water molecules are not included.