7R0P

CRYSTAL STRUCTURE OF E.coli ALCOHOL DEHYDROGENASE - FucO MUTANT F254I COMPLEXED WITH FE, NAD+, AND ETHYLENE GLYCOL

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	41531.3	2	UniProt (P0A9S2) Pfam (PF00465) UniProt (by SIFTS) (P0A9S1)	Escherichia coli str. K-12 substr. MG1655	Propanediol oxidoreductase
2	C, M (AAA, BBB)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, E, F, H, I... (AAA, BBB)	1,2-ETHANEDIOL	non-polymer		62.1	17	Chemie (EDO)
4	G, T (AAA, BBB)	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
5	X, Y (AAA, BBB)	water	water		18.0	555	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met 1	-	initiating methionine
Ile 254	Phe 253	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	83062.6
Non-Polymers*	Number of molecules	21
	Total formula weight	2493.7
All*	Total formula weight	85556.3

*Water molecules are not included.