4JQC

Crystal Structure of E.coli Enoyl Reductase in Complex with NAD and AFN-1252

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, E (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, F (A, B)	N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)propanamide	non-polymer		377.4	2	Chemie (0WE)
4	G, H (A, B)	water	water		18.0	29	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	2081.7
All*	Total formula weight	62210.3

*Water molecules are not included.