8AUI

Xenobiotic reductase A Y27F variant in complex with 2-methoxyethyl (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	2-methoxyethyl (2~{Z})-2-hydroxyimino-3-oxidanylidene-butanoate	non-polymer		189.2	6	Chemie (O8R)
4	B	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	2	Chemie (PEG)
5		water	water		18.0	809	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	10
	Total formula weight	2259.9
All*	Total formula weight	84132.0

*Water molecules are not included.