4O15

The crystal structure of a mutant NAMPT (S165F) in complex with GNE-618

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	57002.5	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	N-(4-{[3-(trifluoromethyl)phenyl]sulfonyl}benzyl)-2H-pyrazolo[3,4-b]pyridine-5-carboxamide	non-polymer		460.4	2	Chemie (2P1)
3	A, B	PHOSPHATE ION	non-polymer		95.0	4	Chemie (PO4)
4	A, B	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5		water	water		18.0	1050	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Phe 165	Ser 165	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	114005.0
Non-Polymers*	Number of molecules	9
	Total formula weight	1486.9
All*	Total formula weight	115491.9

*Water molecules are not included.