Brand  (β version)

PDB ID: 4EJN

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Ligands
Code Name Style Show Link
0R4 N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3h-imidazo[4,5-B]pyridin-3-yl}benzyl)-3-fluorobenzamide PoSSuM
EDO 1,2-ethanediol PoSSuM
SBT 2-butanol PoSSuM
Non-standard Residues
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Structure summary

Code : 4EJN   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-B]pyridin-3-yl)benzyl)-3-fluorobenzamide
Release Data : 2012-05-23
Compound :
mol_id molecule chains synonym
1 RAC-alpha serine/threonine-protein kinase A Protein kinase B, PKB, Protein kinase B alpha, PKB alpha, Proto-oncogene c-Akt, RAC-PK-alpha
ec: 2.7.11.1
mutation: E114A, E115A, E116A
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Spodoptera frugiperda  (taxid:7108)
gene: AKT1, PKB, RAC
expression_system_common: Fall armyworm
Authors : Eathiraj, S.
Keywords : Akt1, autoinhibition, allosteric inhibitor, kinase inhibitor, hydrophobic collapase, Kinase, ATPase, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.19 Å )
Citation :

Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.

Ashwell, M.A.,Lapierre, J.M.,Brassard, C.  et al.
(2012)  J.Med.Chem.  55 : 5291 - 5310

PubMed: 22533986
DOI: 10.1021/jm300276x

Reaction

Chain : A
UniProt : P31749 (AKT1_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
L-seryl-[protein] + ATP = O-phospho-L-seryl-[protein] + ADP + H(+) 2.7.11.1 PubMed:12172553, PubMed:15861136, PubMed:16139227, PubMed:1718748, PubMed:1851997, PubMed:26440888, PubMed:29343641, PubMed:31548394, PubMed:32322062, PubMed:33594058
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L-threonyl-[protein] + ATP = O-phospho-L-threonyl-[protein] + ADP + H(+) 2.7.11.1 PubMed:12172553, PubMed:16139227, PubMed:1718748, PubMed:1851997
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