4IGF

Crystal structure of Plasmodium falciparum FabI complexed with NAD and inhibitor 3-(4-Chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one

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 reductase	polymer	345	39269.3	2	UniProt (C6KSZ2) Pfam (PF13561)	Plasmodium falciparum
2	C, F (A, B)	3-(4-chloro-2-hydroxyphenoxy)-7-hydroxy-2H-chromen-2-one	non-polymer		304.7	2	Chemie (CHV)
3	D, G (A, B)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	2	Chemie (NAD)
4	E, J, K (A, B)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
5	H, I (B)	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
6	L, M (A, B)	water	water		18.0	243	Chemie (HOH)

Sequence modifications

A, B: 96 - 432 (UniProt: C6KSZ2)

PDB	External Database	Details
Met 88	-	expression tag
Val 89	-	expression tag
His 90	-	expression tag
His 91	-	expression tag
His 92	-	expression tag
His 93	-	expression tag
His 94	-	expression tag
His 95	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78538.5
Non-Polymers*	Number of molecules	9
	Total formula weight	2404.6
All*	Total formula weight	80943.1

*Water molecules are not included.