Research workbench

Co-crystal structure of perk bound to 1-[5-(4-amino-2,7-dimethyl-7H- PYRROLO[2,3-D]PYRIMIDIN-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro- 5-(TRIFLUOROMETHYL)PHENYL]ETHANONE inhibitor

Analyse Co-crystal structure of perk bound to 1-[5-(4-amino-2,7-dimethyl-7H… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4X7O
Type: protein
Length: 246 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Eukaryotic translation initiation factor 2-alpha kinase 3, eukaryotic translation…
EC: 2.7.11.1
UniProt: Q9NZJ5
Ligands: 3Z6
Pockets: 1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Eukaryotic translation initiation factor 2-alpha kinase 3, eukaryotic translation initiation factor 2-alpha kinase 3 (EC 2.7.11.1)	protein	246	42% helix, 18% strand	Q9NZJ5

Ligands and binding sites

3Z6 · 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanone · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	361	0.73	0.84	37	3Z6

Compared structures

4X7O · Co-crystal Structure of PERK bound to 1-[5-(4-amino-2,7-dimethyl-7H-pyrrolo[2,3-d]pyrimidi… · the same entry in another collection · chain A against A, TM-score 1.00
Q9NZJ5 · AlphaFold monomer V2.0 prediction for eukaryotic translation initiation factor 2-alpha… · a predicted model of the same protein · chain A against A, TM-score 0.97

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q9NZJ5
Elsewhere: RCSB PDB 4X7O · PDBe 4X7O · UniProt Q9NZJ5

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.