Structure of PDB 4g31 Chain A

Receptor sequence
>4g31A (length=248) Species: 9606 (Homo sapiens) [Search protein sequence]
GRYLTDFEPIQCLGRGGVVFEAKNKVDDCNYAIKRIRLPNRELAREKVMR
EVKALAKLEHPGIVRYFNAWLEKNKVYLYIQMQLCRKENLKDWMNGRCTI
EERERSVCLHIFLQIAEAVEFLHSKGLMHRDLKPSNIFFTMDDVVKVGDF
GLVGTKLYMSPEQIHGNSYSHKVDIFSLGLILFELLYPFSTQMERVRTLT
DVRNLKFPPLFTQKYPCEYVMVQDMLSPSPMERPEAINIIENAVFEDL
3D structure
PDB4g31 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).
ChainA
Resolution2.28 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) D936 K938 N941 D954 T986
Catalytic site (residue number reindexed from 1) D131 K133 N136 D149 T155
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 0WH A A619 L642 A643 V651 Y653 I885 M887 C890 F943 D954 F955 A32 L55 A56 V64 Y66 I80 M82 C85 F138 D149 F150 MOAD: ic50=0.4nM
PDBbind-CN: -logKd/Ki=9.40,IC50=0.4nM
BindingDB: IC50=0.400000nM
Gene Ontology
Molecular Function
GO:0004672 protein 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:4g31, PDBe:4g31, PDBj:4g31
PDBsum4g31
PubMed22827572
UniProtQ9NZJ5|E2AK3_HUMAN Eukaryotic translation initiation factor 2-alpha kinase 3 (Gene Name=EIF2AK3)

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