MolNFT v1 · #96661 · protein

Crystal structure of EGFR kinase domain in complex with compound 2A

4JQ7 · Epidermal growth factor receptor: “Crystal structure of EGFR kinase domain in complex with compound 2A”. X-ray diffraction, 1 ligand (KJQ), 1 pocket (best druggability 0.64). MolNFT v1 #96661 on GenesisL1: 3D structure, binding…

PDB: 4JQ7
Type: protein
Length: 303 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Epidermal growth factor receptor
EC: 2.7.10.1
UniProt: P00533
Ligands: KJQ
Pockets: 1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Epidermal growth factor receptor (EC 2.7.10.1)	protein	303	38% helix, 18% strand	P00533

Ligands and binding sites

KJQ · (2S)-2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol · 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	424	0.64	0.78	52	KJQ

Compared structures

4JQ7 · Crystal structure of EGFR kinase domain in complex with compound 2a · the same entry in another collection · chain A against A, TM-score 1.00
P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain A against A, TM-score 0.92

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 P00533
Elsewhere: RCSB PDB 4JQ7 · PDBe 4JQ7 · UniProt P00533

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