Structure of PDB 3oaw Chain A

Receptor sequence

>3oawA (length=841) Species: 9606 (Homo sapiens)

SEESQAFQRQLTALIGYDVTDVSNVHDDELEFTRRGLVTPRMAEVASRDP
KLYAMHPWVTSKPLPEYLWKKIANNCIFIVIHRSTTSQTIKVSPDDTPGA
ILQSFFTKMDFVLRVCGRDEYLVGETPIKNFQWVRHCLKNGEEIHVVLDT
PPDPALDEVRKESLWDCDRKFRVKIRGIDIPVLLTVFVEANIQHGQQVLC
QRRTSPKPFTEEVLWNVWLEFSIKIKDLPKGALLNLQIYCVQLLYYVNLL
LIDHRFLLRRGEYVLHMWQISGFNADKLTSATNPDKENSMSISILLDNYC
HPIALPRAEMPNQLRKQLEAIIATDPLNPLTAEDKELLWHFRYESLKHPK
AYPKLFSSVKWGQQEIVAKTYQLLARREVWDQSALDVGLTMQLLDCNFSD
ENVRAIAVQKLESLEDDDVLHYLLQLVQAVKFEPYHDSALARFLLKRGLR
NKRIGHFLFWFLRSEIAQSRHYQQRFAVILEAYLRGCGTAMLHDFTQQVQ
VIEMLQKVTLDIKSLSSSQVISQLKQKLENLQNSQLPESFRVPYDPGLKA
GALAIEKCKVMASKKKPLWLEFKCADPTALSNETIGIIFKHGDDLRQDML
ILQILRIMESIWETESLDLCLLPYGCISTGDKIGMIEIVKDATTIAKIQQ
STVGNTGAFKDEVLNHWLKEKSPTEEKFQAAVERFVYSCAGYCVATFVLG
IGDRHNDNIMITETGNLFHIDFGHILGNYRVPFVLTPDFLFVMGTSGKKT
SPHFQKFQDICVKAYLALRHHTNLLIILFSMMLMTGMPQLTSKEDIEYIR
DALTVGKNEEDAKKYFLDQIEVCRDKGWTVQFNWFLHLVLG

3D structure

• PDB: 3oaw 4-methylpteridinones as orally active and selective PI3K/mTOR dual inhibitors.
• Chain: A
• Resolution: 2.75 Å

Enzymatic activity

• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.
  2.7.1.137: phosphatidylinositol 3-kinase.
  2.7.1.153: phosphatidylinositol-4,5-bisphosphate 3-kinase.
  2.7.1.154: phosphatidylinositol-4-phosphate 3-kinase.

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	OAW	A	I831 Y867 I879 V882 M953 I963 D964	I588 Y624 I636 V639 M710 I720 D721	PDBbind-CN: -logKd/Ki=8.15,Ki=7nM

Gene Ontology

Molecular Function

• GO:0016301 kinase activity

Biological Process

• GO:0046854 phosphatidylinositol phosphate biosynthetic process

External links

• PDB: RCSB:3oaw, PDBe:3oaw, PDBj:3oaw
• PDBsum: 3oaw
• PubMed: 20817449
• UniProt: P48736|PK3CG_HUMAN Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform (Gene Name=PIK3CG)