3UIC

Crystal Structure of FabI, an Enoyl Reductase from F. tularensis, in complex with a Novel and Potent Inhibitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Enoyl-[acyl-carrier-protein] reductase [NADH]	polymer	280	30006.6	16	UniProt (Q5NGQ3) Pfam (PF13561)	Francisella tularensis subsp. tularensis
2	AA, CA, EA, GA, IA... (F, G, H, I, J...)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	16	Chemie (NAD)
3	BA, DA, FA, HA, JA... (F, G, H, I, J...)	1-(3,4-dichlorobenzyl)-5,6-dimethyl-1H-benzimidazole	non-polymer		305.2	16	Chemie (09T)
4	AB, BB, CB, DB, EB... (E, F, G, H, I...)	water	water		18.0	861	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P: 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	16
	Total formula weight	480105.0
Non-Polymers*	Number of molecules	32
	Total formula weight	15498.0
All*	Total formula weight	495603.0

*Water molecules are not included.