Structure of PDB 3qkk Chain A

Receptor sequence
>3qkkA (length=327) Species: 9606 (Homo sapiens) [Search protein sequence]
RVTMNEFEYLKLLGKGTFGKVILVKEKATGRYYAMKILKKEVIVAKDEVA
HTLTENRVLQNSRHPFLTALKYSFQTHDRLCFVMEYANGGELFFHLSRER
VFSEDRARFYGAEIVSALDYLHSEKNVVYRDLKLENLMLDKDGHIKITDF
GLCKEGIKDGATMKTFCGTPEYLAPEVLEDNDYGRAVDWWGLGVVMYEMM
CGRLPFYNQDHEKLFELILMEEIRFPRTLGPEAKSLLSGLLKKDPKQRLG
GGSEDAKEIMQHRFFAGIVWQHVYEKKLSPPFKPQVTSETDTRYFDEEFT
AQMITIMECVDSERRPHFPQFDYSASS
3D structure
PDB3qkk Discovery and SAR of spirochromane Akt inhibitors.
ChainA
Resolution2.3 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 E234 F236 D274 K276 E278 L295 F309 C310 G311 T312 P313 E314 Y315 E91 F93 D131 K133 E135 L152 F166 C167 G168 T169 P170 E171 Y172
BS02 SMH A G157 K158 G159 F161 G162 V164 A177 M227 E278 M281 T291 D292 F438 G14 K15 G16 F18 G19 V21 A34 M84 E135 M138 T148 D149 F295 PDBbind-CN: -logKd/Ki=6.52,IC50=0.3uM
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:3qkk, PDBe:3qkk, PDBj:3qkk
PDBsum3qkk
PubMed21392984
UniProtP31749|AKT1_HUMAN RAC-alpha serine/threonine-protein kinase (Gene Name=AKT1)

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