Structure of PDB 3cqw Chain A

Receptor sequence
>3cqwA (length=319) Species: 9606 (Homo sapiens) [Search protein sequence]
RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVA
HTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRER
VFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDF
GLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMM
CGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLG
GGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFT
AQMIERRPHFPQFDYSASS
3D structure
PDB3cqw Synthesis and structure based optimization of novel Akt inhibitors
ChainA
Resolution2.0 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D274 K276 N279 D292 T312
Catalytic site (residue number reindexed from 1) D131 K133 N136 D149 T169
Enzyme Commision number 2.7.11.1: non-specific serine/threonine protein 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 peptide A H194 E234 F236 D274 K276 E278 F309 C310 G311 T312 P313 E314 E341 H51 E91 F93 D131 K133 E135 F166 C167 G168 T169 P170 E171 E198
BS02 MN A E314 H354 E171 H211
BS03 CQW A A177 M227 A230 E234 E278 M281 D292 F438 A34 M84 A87 E91 E135 M138 D149 F295 MOAD: ic50=42nM
PDBbind-CN: -logKd/Ki=7.38,IC50=42nM
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

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Molecular Function
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Biological Process
External links
PDB RCSB:3cqw, PDBe:3cqw, PDBj:3cqw
PDBsum3cqw
PubMed18456494
UniProtP31749|AKT1_HUMAN RAC-alpha serine/threonine-protein kinase (Gene Name=AKT1)

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