4NZ9

Crystal Structure of FabI from S. aureus in complex with a novel benzimidazole 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 (A, B)	Enoyl-[acyl-carrier-protein] reductase [NADPH]	polymer	279	30569.7	2	UniProt (Q2FI66) UniProt (by SIFTS) (A0A0H2XIJ1)	Staphylococcus aureus	ENR
2	C, E (A, B)	1-(4-methoxy-3-methylbenzyl)-5,6,7,8-tetrahydro-1H-naphtho[2,3-d]imidazole	non-polymer		306.4	2	Chemie (1JT)
3	D, F (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
4	G, H (A, B)	water	water		18.0	133	Chemie (HOH)

Sequence modifications

A, B: 1 - 256 (UniProt: Q2FI66)

PDB	External Database	Details
Met -22	-	expression tag
Gly -21	-	expression tag
Ser -20	-	expression tag
Ser -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Ser -12	-	expression tag
Ser -11	-	expression tag
Gly -10	-	expression tag
Leu -9	-	expression tag
Val -8	-	expression tag
Pro -7	-	expression tag
Arg -6	-	expression tag
Gly -5	-	expression tag
Ser -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Leu -1	-	expression tag
Glu 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61139.3
Non-Polymers*	Number of molecules	4
	Total formula weight	2099.6
All*	Total formula weight	63238.9

*Water molecules are not included.