3R7Q

Structure-based design of thienobenzoxepin inhibitors of PI3- kinase

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	110727.1	1	UniProt (P48736) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) In PDB	Homo sapiens (human)	PI3-kinase subunit gamma, PI3K-gamma, PtdIns-3-kinase subunit gamma, Phosphatidylinositol-4,5-bisphosphate 3-kinase 110 kDa catalytic subunit gamma, PtdIns-3-kinase subunit p110-gamma, p120-PI3K
2	A	N-(2-chlorophenyl)-N-methyl-4H-thieno[3,2-c]chromene-2-carboxamide	non-polymer		355.8	1	Chemie (FAV)

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	110727.1
Non-Polymers*	Number of molecules	1
	Total formula weight	355.8
All*	Total formula weight	111082.9

*Water molecules are not included.