7QLS

CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NADH, AND DIMETHOXYPHENYL ACETAMIDE

This is a non-PDB format compatible entry.

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (AAA, BBB)	Lactaldehyde reductase	polymer	390	41464.2	2	UniProt (P0A9S2) Pfam (PF00465) Pfam (PF25137) UniProt (by SIFTS) (P0A9S1)	Escherichia coli str. K-12 substr. MG1655	Propanediol oxidoreductase
2	C, F (AAA, BBB)	2-(3,4-dimethoxyphenyl)ethanamide	non-polymer		195.2	2	Chemie (E9I)
3	D, G (AAA, BBB)	ADENOSINE-5-DIPHOSPHORIBOSE	non-polymer		559.3	2	Chemie (APR)
4	E, H (AAA, BBB)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
5	I, J (AAA, BBB)	water	water		18.0	77	Chemie (HOH)

Sequence modifications

AAA, BBB: 2 - 383 (UniProt: P0A9S2)

PDB	External Database	Details
Met 1	-	initiating methionine
Gly 151	Asn 150	engineered mutation
Val 259	Leu 258	engineered mutation
Gly 315	Ser 314	engineered mutation
Thr 384	-	expression tag
Ser 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag
His 390	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82928.5
Non-Polymers*	Number of molecules	6
	Total formula weight	1620.8
All*	Total formula weight	84549.2

*Water molecules are not included.