4JX8

Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AEA16

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Enoyl-[acyl-carrier-protein] reductase [NADH] FabI	polymer	282	30064.3	2	UniProt (P0AEK4) Pfam (PF13561)	Escherichia coli	ENR, NADH-dependent enoyl-ACP reductase
2	C, F (A, B)	6-{(1E)-3-[3-(3-methyl-1-benzofuran-2-yl)azetidin-1-yl]-3-oxoprop-1-en-1-yl}-1,8-naphthyridin-2(1H)-one	non-polymer		385.4	2	Chemie (AE6)
3	D, E (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
4	G, H (A, B)	water	water		18.0	54	Chemie (HOH)

Sequence modifications

A, B: 1 - 262 (UniProt: P0AEK4)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	60128.6
Non-Polymers*	Number of molecules	4
	Total formula weight	2097.7
All*	Total formula weight	62226.2

*Water molecules are not included.