Brand  (β version)

PDB ID: 4G31

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Ligands
Code Name Style Show Link
0WH 1-[5-(4-amino-7-methyl-7h-pyrrolo[2,3-D]pyrimidin-5-yl)-2,3-dihydro-1h-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone PoSSuM
GOL Glycerol PoSSuM
Non-standard Residues
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Structure summary

Code : 4G31   PDBj   RCSB PDB   PDBe
Header : TRANSFERASE/TRANSFERASE INHIBITOR
Title : Crystal Structure of GSK6414 Bound to PERK (R587-R1092, delete A660-T867) at 2.28 A Resolution
Release Data : 2012-08-08
Compound :
mol_id molecule chains synonym
1 Eukaryotic translation initiation factor 2-alpha kinase 3 A PKR-like endoplasmic reticulum kinase, PERK, Pancreatic eIF2-alpha kinase, HsPEK
ec: 2.7.11.1
fragment: UNP residues 588-660,869-1093
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: EIF2AK3, PEK, PERK
Authors : Gampe, R.T., Axten, J.M.
Keywords : deletion mutant, catalytic domain, synthetic inhibitor, TRANSFERASE-TRANSFERASE INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 2.280 Å )
Citation :

Discovery of 7-Methyl-5-(1-{[3-(trifluoromethyl)phenyl]acetyl}-2,3-dihydro-1H-indol-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (GSK2606414), a Potent and Selective First-in-Class Inhibitor of Protein Kinase R (PKR)-like Endoplasmic Reticulum Kinase (PERK).

Axten, J.M.,Medina, J.R.,Feng, Y.  et al.
(2012)  J.Med.Chem.  55 : 7193 - 7207

PubMed: 22827572
DOI: 10.1021/jm300713s

Reaction

Chain : A
UniProt : Q9NZJ5 (E2AK3_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + L-seryl-[protein] = ADP + H(+) + O-phospho-L-seryl- [protein] 2.7.11.1 -
-
ATP + L-threonyl-[protein] = ADP + H(+) + O-phospho-L- threonyl-[protein] 2.7.11.1 -
-