3HHM

Crystal structure of p110alpha H1047R mutant in complex with niSH2 of p85alpha and the drug wortmannin

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	1091	127294.1	1	UniProt (P42336) Pfam (PF02192) Pfam (PF00794) Pfam (PF00792) Pfam (PF00613) Pfam (PF00454)	Homo sapiens (human)	PI3-kinase p110 subunit alpha, PtdIns-3-kinase p110, PI3K
2	B (B)	niSH2 p85alpha	polymer	373	44262.5	1	UniProt (P27986) Pfam (PF00017) Pfam (PF16454)	Homo sapiens
3	C (A)	(1S,6BR,9AS,11R,11BR)-9A,11B-DIMETHYL-1-[(METHYLOXY)METHYL]-3,6,9-TRIOXO-1,6,6B,7,8,9,9A,10,11,11B-DECAHYDRO-3H-FURO[4, 3,2-DE]INDENO[4,5-H][2]BENZOPYRAN-11-YL ACETATE	non-polymer		428.4	1	Chemie (KWT)
4	D, E (A, B)	water	water		18.0	115	Chemie (HOH)

Sequence modifications

A: 1 - 1068 (UniProt: P42336)

PDB	External Database	Details
Met -28	-	expression tag
Ser -27	-	expression tag
Tyr -26	-	expression tag
Tyr -25	-	expression tag
His -24	-	expression tag
His -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
Asp -18	-	expression tag
Tyr -17	-	expression tag
Pro -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Glu -6	-	expression tag
Leu -5	-	expression tag
Trp -4	-	expression tag
Gly -3	-	expression tag
Ile -2	-	expression tag
His -1	-	expression tag
Leu 0	-	expression tag
Arg 1047	His 1047	engineered mutation

B: 322 - 694 (UniProt: P27986)

PDB	External Database	Details
Asn 330	Asp 330	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	171556.6
Non-Polymers*	Number of molecules	1
	Total formula weight	428.4
All*	Total formula weight	171985.0

*Water molecules are not included.