4KFN

Structure-Based Discovery of Novel Amide-Containing Nicotinamide Phosphoribosyltransferase (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	56942.4	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, L (A, B)	N-[4-(piperidin-1-ylsulfonyl)benzyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide	non-polymer		398.5	2	Chemie (1QR)
3	D, E, G, M, N... (A, B)	PHOSPHATE ION	non-polymer		95.0	6	Chemie (PO4)
4	F, H, I, J, K... (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	10	Chemie (EDO)
5	U, V (A, B)	water	water		18.0	1165	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
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	113884.8
Non-Polymers*	Number of molecules	18
	Total formula weight	1987.5
All*	Total formula weight	115872.2

*Water molecules are not included.