9NIE

Cryo-EM structure of the PI3K alpha/KRas/HER3 phosphopeptide complex on POPC/POPS/PIP2 nanodiscs low-pass filtered to 5 angstroms

This is a non-PDB format compatible entry.

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 alpha isoform	polymer	1096	127822.6	1	UniProt (P42336)	Homo sapiens (human)	PtdIns-3-kinase subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase 110 kDa catalytic subunit alpha, p110alpha, Phosphoinositide-3-kinase catalytic alpha polypeptide, Serine/threonine protein kinase PIK3CA
2	B (C)	Isoform 2B of GTPase KRas	polymer	189	21516.7	1	UniProt (P01116)	Homo sapiens (human)	K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras
3	C (A)	tert-butyl [2-(2-{[(2P)-2-{4-[4-(2-amino-2-oxoethyl)-2-fluoroanilino]thieno[2,3-d]pyridazin-7-yl}phenyl]oxy}ethoxy)ethyl]carbamate	non-polymer		581.7	1	Chemie (A1AZD)
4	D (C)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
5	E (C)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	non-polymer		522.2	1	Chemie (GNP)

Sequence modifications

A: 1 - 1068 (UniProt: P42336)

PDB	External Database	Details
Met -27	-	expression tag
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

C: 1 - 188 (UniProt: P01116)

PDB	External Database	Details
Gly 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	149339.2
Non-Polymers*	Number of molecules	3
	Total formula weight	1128.2
All*	Total formula weight	150467.4

*Water molecules are not included.