4D46

Crystal structure of E. coli FabI in complex with NAD and 5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile

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	270	28964.1	2	UniProt (C6EFU4)	ESCHERICHIA COLI	ENOYL-ACP REDUCTASE
2	C, E (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
3	D, F (A, B)	5-bromo-2-(4-chloro-2-hydroxyphenoxy)benzonitrile	non-polymer		324.6	2	Chemie (J47)
4	G, H (A, B)	water	water		18.0	250	Chemie (HOH)

Sequence modifications

A, B: 1 - 262 (UniProt: C6EFU4)

PDB	External Database	Details
Leu 263	-	expression tag
Glu 264	-	expression tag
His 265	-	expression tag
His 266	-	expression tag
His 267	-	expression tag
His 268	-	expression tag
His 269	-	expression tag
His 270	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	57928.1
Non-Polymers*	Number of molecules	4
	Total formula weight	1976.0
All*	Total formula weight	59904.1

*Water molecules are not included.