3DPD

Achieving multi-isoform PI3K inhibition in a series of substituted 3,4-Dihydro-2H-benzo[1,4]oxazines

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	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) In PDB	Homo sapiens (Human)	PI3-kinase p110 subunit gamma, PtdIns-3-kinase subunit p110, PI3Kgamma, PI3K, p120-PI3K
2	A	5,5-dimethyl-2-morpholin-4-yl-5,6-dihydro-1,3-benzothiazol-7(4H)-one	non-polymer		266.4	1	Chemie (41A)

Sequence modifications

A: 144 - 1102 (UniProt: P48736)

PDB	External Database	Details
Met 143	-	initiating methionine
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	1
	Total formula weight	266.4
All*	Total formula weight	111022.5

*Water molecules are not included.