7RSJ

Structure of the VPS34 kinase domain with compound 14

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Phosphatidylinositol 3-kinase catalytic subunit type 3	polymer	612	70075.9	1	UniProt (Q8NEB9) Pfam (PF00613) Pfam (PF00454)	Homo sapiens (Human)	PI3-kinase type 3,PI3K type 3,PtdIns-3-kinase type 3,Phosphatidylinositol 3-kinase p100 subunit,Phosphoinositide-3-kinase class 3,hVps34
2	B, C, D (A)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
3	E (A)	N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide	non-polymer		339.4	1	Chemie (7IH)
4	F (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
5	G, H (A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	I (A)	water	water		18.0	338	Chemie (HOH)

Sequence modifications

A: 282 - 879 (UniProt: Q8NEB9)

PDB	External Database	Details
His 268	-	expression tag
His 269	-	expression tag
His 270	-	expression tag
His 271	-	expression tag
His 272	-	expression tag
His 273	-	expression tag
Gly 274	-	expression tag
Glu 275	-	expression tag
Asn 276	-	expression tag
Leu 277	-	expression tag
Tyr 278	-	expression tag
Phe 279	-	expression tag
Gln 280	-	expression tag
Gly 281	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	70075.9
Non-Polymers*	Number of molecules	7
	Total formula weight	654.6
All*	Total formula weight	70730.5

*Water molecules are not included.