Structure of PDB 6ccy Chain A

Receptor sequence

>6ccyA (length=326) Species: 9606 (Homo sapiens)

GSLRVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKD
EVAHTLTESRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLS
RERVFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKI
TDFGLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMY
EMMCGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQ
RLGGGPSDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSEVDTRYFDE
EFTAQMITITEQEMFRDFDYIADWEG

3D structure

• PDB: 6ccy Discovery of chiral dihydropyridopyrimidinones as potent, selective and orally bioavailable inhibitors of AKT.
• Chain: A
• Resolution: 2.18 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): D274 K276 N279 D292 T312
• Catalytic site (residue number reindexed from 1): D134 K136 N139 D152 T172
• Enzyme Commision number: 2.7.11.1: non-specific serine/threonine protein kinase.
  2.7.11.13: protein kinase C.

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	EX4	A	L156 G157 G159 G162 K163 V164 A177 T211 M227 E228 A230 E234 M281 F438 F442	L16 G17 G19 G22 K23 V24 A37 T71 M87 E88 A90 E94 M141 F298 F302	MOAD: ic50=0.003uM PDBbind-CN: -logKd/Ki=8.52,IC50=0.003uM

Gene Ontology

Molecular Function

• GO:0004672 protein kinase activity
• GO:0004674 protein serine/threonine kinase activity
• GO:0005524 ATP binding

Biological Process

• GO:0006468 protein phosphorylation

External links

• PDB: RCSB:6ccy, PDBe:6ccy, PDBj:6ccy
• PDBsum: 6ccy
• PubMed: 29655979
• UniProt: P31749|AKT1_HUMAN RAC-alpha serine/threonine-protein kinase (Gene Name=AKT1);
  Q16513|PKN2_HUMAN Serine/threonine-protein kinase N2 (Gene Name=PKN2)