5ENN

The crystal structure of Human VPS34 in complex with a selective and potent inhibitor

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)	Phosphatidylinositol 3-kinase catalytic subunit type 3	polymer	625	71845.0	2	UniProt (Q8NEB9) Pfam (PF00613) Pfam (PF00454)	Homo sapiens (Human)	PtdIns-3-kinase type 3,Phosphatidylinositol 3-kinase p100 subunit,Phosphoinositide-3-kinase class 3,hVps34
2	C, E (A, B)	1-[[4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-yl]amino]-2-methyl-propan-2-ol	non-polymer		391.5	2	Chemie (5QS)
3	D, F (A, B)	SODIUM ION	non-polymer		23.0	2	Chemie (NA)
4	G (B)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
5	H (B)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
6	I, J (A, B)	water	water		18.0	279	Chemie (HOH)

Sequence modifications

A, B: 293 - 887 (UniProt: Q8NEB9)

PDB	External Database	Details
Met 263	-	initiating methionine
Ser 264	-	expression tag
Tyr 265	-	expression tag
Tyr 266	-	expression tag
His 267	-	expression tag
His 268	-	expression tag
His 269	-	expression tag
His 270	-	expression tag
His 271	-	expression tag
His 272	-	expression tag
Asp 273	-	expression tag
Tyr 274	-	expression tag
Asp 275	-	expression tag
Ile 276	-	expression tag
Pro 277	-	expression tag
Thr 278	-	expression tag
Thr 279	-	expression tag
Glu 280	-	expression tag
Asn 281	-	expression tag
Leu 282	-	expression tag
Tyr 283	-	expression tag
Phe 284	-	expression tag
Gln 285	-	expression tag
Gly 286	-	expression tag
Ala 287	-	expression tag
Met 288	-	expression tag
Gly 289	-	expression tag
Ser 290	-	expression tag
Gly 291	-	expression tag
Ile 292	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	143690.1
Non-Polymers*	Number of molecules	6
	Total formula weight	1017.1
All*	Total formula weight	144707.2

*Water molecules are not included.