4O1B

The crystal structure of a mutant NAMPT (G217R) in complex with an inhibitor APO866

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Nicotinamide phosphoribosyltransferase	polymer	501	57042.5	2	UniProt (P43490) Pfam (PF18127) Pfam (PF04095) In PDB	Homo sapiens (human)	NAmPRTase, Nampt, Pre-B-cell colony-enhancing factor 1, Pre-B cell-enhancing factor, Visfatin
2	A, B	(2E)-N-{4-[1-(benzenecarbonyl)piperidin-4-yl]butyl}-3-(pyridin-3-yl)prop-2-enamide	non-polymer		391.5	2	Chemie (DGB)
3	A, B	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	11	Chemie (EDO)
5		water	water		18.0	1132	Chemie (HOH)

Sequence modifications

A, B: 1 - 491 (UniProt: P43490)

PDB	External Database	Details
Arg 217	Gly 217	engineered mutation
Leu 492	-	expression tag
Glu 493	-	expression tag
His 494	-	expression tag
His 495	-	expression tag
His 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	114085.0
Non-Polymers*	Number of molecules	17
	Total formula weight	1845.6
All*	Total formula weight	115930.7

*Water molecules are not included.