4LWW

Discovery of Potent and Efficacious Cyanoguanidine-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, O (A, B)	N-(4-(phenylsulfonyl)benzyl)-1H-pyrrolo[3,2-c]pyridine-2-carboxamide	non-polymer		391.4	2	Chemie (LWW)
3	D, E, P, Q (A, B)	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	AA, F, G, H, I... (B, A)	1,2-ETHANEDIOL	non-polymer		62.1	19	Chemie (EDO)
5	BA, CA (A, B)	water	water		18.0	1112	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	25
	Total formula weight	2342.1
All*	Total formula weight	116226.8

*Water molecules are not included.