7MLK

Crystal structure of human PI3Ka (p110a subunit) with MMV085400 bound to the active site determined at 2.9 angstroms resolution

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 alpha isoform	polymer	968	112619.9	1	UniProt (P42336) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454) In PDB	Homo sapiens (Human)	PI3-kinase subunit alpha,PI3K-alpha,PI3Kalpha,PtdIns-3-kinase subunit alpha,Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit alpha,PtdIns-3-kinase subunit p110-alpha,p110alpha,Phosphoinositide 3-kinase alpha,Phosphoinositide-3-kinase catalytic alpha polypeptide,Serine/threonine protein kinase PIK3CA
2	A	4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide	non-polymer		380.4	1	Chemie (ZHY)

Sequence modifications

A: 105 - 1048 (UniProt: P42336)

PDB	External Database	Details
Met 81	-	initiating methionine
Ala 82	-	expression tag
Ser 83	-	expression tag
His 84	-	expression tag
His 85	-	expression tag
His 86	-	expression tag
His 87	-	expression tag
His 88	-	expression tag
His 89	-	expression tag
Asp 90	-	expression tag
Tyr 91	-	expression tag
Asp 92	-	expression tag
Gly 93	-	expression tag
Ala 94	-	expression tag
Thr 95	-	expression tag
Thr 96	-	expression tag
Glu 97	-	expression tag
Asn 98	-	expression tag
Leu 99	-	expression tag
Tyr 100	-	expression tag
Phe 101	-	expression tag
Gln 102	-	expression tag
Gly 103	-	expression tag
Ser 104	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	112619.9
Non-Polymers*	Number of molecules	1
	Total formula weight	380.4
All*	Total formula weight	113000.3

*Water molecules are not included.