3IBE

Crystal Structure of a Pyrazolopyrimidine Inhibitor Bound to PI3 Kinase Gamma

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-4,5-bisphosphate 3-kinase catalytic subunit gamma isoform	polymer	966	110756.2	1	UniProt (P48736) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454)	Homo sapiens (human)	PI3-kinase p110 subunit gamma, PtdIns-3-kinase subunit p110, PI3Kgamma, PI3K, p120-PI3K
2	B (A)	SULFATE ION	non-polymer		96.1	1	Chemie (SO4)
3	C (A)	1-(4-{4-morpholin-4-yl-1-[1-(pyridin-3-ylcarbonyl)piperidin-4-yl]-1H-pyrazolo[3,4-d]pyrimidin-6-yl}phenyl)-3-pyridin-4-ylurea	non-polymer		604.7	1	Chemie (L64)
4	D (A)	water	water		18.0	42	Chemie (HOH)

Sequence modifications

A: 144 - 1102 (UniProt: P48736)

PDB	External Database	Details
Met 143	-	expression tag
Arg 459	Gln 459	variant
His 1103	-	expression tag
His 1104	-	expression tag
His 1105	-	expression tag
His 1106	-	expression tag
His 1107	-	expression tag
His 1108	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	110756.2
Non-Polymers*	Number of molecules	2
	Total formula weight	700.7
All*	Total formula weight	111456.9

*Water molecules are not included.