3NRC

Crystal Structure of the Francisella tularensis enoyl-acyl carrier protein reductase (FabI) in complex with NAD+ and triclosan

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)	polymer	280	30006.6	2	UniProt (Q5NGQ3) Pfam (PF13561)	Francisella tularensis subsp. tularensis
2	C, E (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, F (A, B)	TRICLOSAN	non-polymer		289.5	2	Chemie (TCL)
4	G, H (A, B)	water	water		18.0	142	Chemie (HOH)

Sequence modifications

A, B: 1 - 260 (UniProt: Q5NGQ3)

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	60013.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1905.9
All*	Total formula weight	61919.1

*Water molecules are not included.