4O1D

Structural Basis for Resistance to Diverse Classes of NAMPT Inhibitors

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)	Nicotinamide phosphoribosyltransferase	polymer	501	56961.4	2	UniProt (P43490) Pfam (PF18127) Pfam (PF04095)	Homo sapiens (human)	NAmPRTase, Nampt, Pre-B-cell colony-enhancing factor 1, Pre-B cell-enhancing factor, Visfatin
2	C, M (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	D, L, N, W (A, B)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	E, F, G, H, I... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	15	Chemie (EDO)
5	X, Y (A, B)	water	water		18.0	1010	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Arg 191	His 191	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	113922.8
Non-Polymers*	Number of molecules	21
	Total formula weight	2093.9
All*	Total formula weight	116016.8

*Water molecules are not included.