MolNFT v1 · #157568 · protein

Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents

6N3O · Eif-2-alpha kinase GCN2: “Identification of novel, potent and selective GCN2 inhibitors as first-in-class anti-tumor agents”. X-ray diffraction, 1 ligand (KA7), 1 pocket (best druggability 0.73). MolNFT v1 #157568 on GenesisL1: 3D…

PDB: 6N3O
Type: protein
Length: 252 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Eif-2-alpha kinase GCN2
EC: 2.7.11.1
UniProt: Q9P2K8
Ligands: KA7
Pockets: 1 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Eif-2-alpha kinase GCN2 (EC 2.7.11.1)	protein	252	37% helix, 20% strand	Q9P2K8

Ligands and binding sites

KA7 · N-{3-[(2-aminopyrimidin-5-yl)ethynyl]-2,4-difluorophenyl}-5-chloro-2-methoxypyridine-3-sulfonamide · 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	436	0.73	0.82	53	KA7

Compared structures

6N3O · Identification of novel, potent and selective GCN2 inhibitors as first-in-class… · the same entry in another collection · chain A against A, TM-score 1.00
Q9P2K8 · AlphaFold monomer V2.0 prediction for eif-2-alpha kinase GCN2 (Q9P2K8) · a predicted model of the same protein · chain A against A, TM-score 0.95

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 Q9P2K8
Elsewhere: RCSB PDB 6N3O · PDBe 6N3O · UniProt Q9P2K8

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