6G6W

HUMAN PI3KDELTA IN COMPLEX WITH LIGAND LASW1976

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 delta isoform	polymer	1072	123010.6	1	UniProt (O00329) Pfam (PF02192) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454)	Homo sapiens (Human)	PtdIns-3-kinase subunit delta,Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit delta,p110delta
2	B (B)	Phosphatidylinositol 3-kinase regulatory subunit alpha	polymer	170	21010.7	1	UniProt (P23727) Pfam (PF16454)	Bos taurus (Bovine)	PtdIns-3-kinase regulatory subunit alpha,Phosphatidylinositol 3-kinase 85 kDa regulatory subunit alpha,PtdIns-3-kinase regulatory subunit p85-alpha
3	C (A)	~{N}-[3-[4-[[(1~{S})-1-(5-methyl-4-oxidanylidene-3-phenyl-pyrrolo[2,1-f][1,2,4]triazin-2-yl)ethyl]amino]-7~{H}-pyrrolo[ 2,3-d]pyrimidin-5-yl]-5-oxidanyl-phenyl]methanesulfonamide	non-polymer		570.6	1	Chemie (EO5)
4	D (A)	water	water		18.0	6	Chemie (HOH)

Sequence modifications

A: 1 - 1044 (UniProt: O00329)

PDB	External Database	Details
Met -27	-	initiating methionine
Ser -26	-	expression tag
Tyr -25	-	expression tag
Tyr -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
Asp -17	-	expression tag
Tyr -16	-	expression tag
Asp -15	-	expression tag
Ile -14	-	expression tag
Pro -13	-	expression tag
Thr -12	-	expression tag
Thr -11	-	expression tag
Glu -10	-	expression tag
Asn -9	-	expression tag
Leu -8	-	expression tag
Tyr -7	-	expression tag
Phe -6	-	expression tag
Gln -5	-	expression tag
Gly -4	-	expression tag
Ala -3	-	expression tag
Met -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

B: 431 - 599 (UniProt: P23727)

PDB	External Database	Details
Met 430	-	initiating methionine

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	144021.4
Non-Polymers*	Number of molecules	1
	Total formula weight	570.6
All*	Total formula weight	144592.0

*Water molecules are not included.