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CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT N151G, L259V COMPLEXED WITH FE, NAD, 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	41494.3	2	UniProt (P0A9S2) Pfam (PF00465) UniProt (by SIFTS) (P0A9S1)	Escherichia coli str. K-12 substr. MG1655	Propanediol oxidoreductase
2	C, H (AAA, BBB)	2-(3,4-dimethoxyphenyl)ethanamide	non-polymer		195.2	2	Chemie (E9I)
3	D, J (AAA, BBB)	ADENOSINE-5-DIPHOSPHORIBOSE	non-polymer		559.3	2	Chemie (APR)
4	E, G (AAA)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
5	F, K (AAA, BBB)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
6	I (BBB)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	L, M (AAA, BBB)	water	water		18.0	54	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
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	82988.5
Non-Polymers*	Number of molecules	9
	Total formula weight	1830.9
All*	Total formula weight	84819.4

*Water molecules are not included.