4A4X

NEK2-EDE bound to CCT248662

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	SERINE/THREONINE-PROTEIN KINASE NEK2	polymer	279	32746.5	1	UniProt (P51955) Pfam (PF00069) In PDB	HOMO SAPIENS (HUMAN)	HSPK 21, NEVER IN MITOSIS A-RELATED KINASE 2, NIMA-RELATED PROTEIN KINASE 2, NIMA-LIKE PROTEIN KINASE 1, NEK2
2	A	4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE	non-polymer		540.6	1	Chemie (JUP)
3		water	water		18.0	68	Chemie (HOH)

Sequence modifications

A: 1 - 271 (UniProt: P51955)

PDB	External Database	Details
Leu 272	-	expression tag
Glu 273	-	expression tag
His 274	-	expression tag
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag
Glu 170	Thr 170	engineered mutation
Asp 171	Ser 171	engineered mutation
Glu 175	Thr 175	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	32746.5
Non-Polymers*	Number of molecules	1
	Total formula weight	540.6
All*	Total formula weight	33287.1

*Water molecules are not included.