MolNFT v1 · #105914 · protein
EGFR kinase (T790M/L858R) with inhibitor compound 1
4RJ7 · Epidermal growth factor receptor: “EGFR kinase (T790M/L858R) with inhibitor compound 1”. X-ray diffraction, 2 ligands (3R1, SO4), 4 pockets (best druggability 0.58). MolNFT v1 #105914 on GenesisL1: 3D structure, binding sites and…
- PDB
- 4RJ7
- Type
- protein
- Length
- 295 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
- 3R1, SO4
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 295 | 40% helix, 17% strand | P00533 |
Ligands and binding sites
- 3R1 · 2,6-dichloro-N-{2-[(2-{[(2S)-1-hydroxypropan-2-yl]amino}-6-methylpyrimidin-4-yl)amino]pyridin-4-yl}benzamide · ligand · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 229 | 0.58 | 0.79 | 26 | 3R1 |
| 2 | 142 | 0.55 | 0.82 | 18 | empty |
| 3 | 119 | 0.41 | 0.75 | 18 | empty |
| 4 | 74 | 0.31 | 0.74 | 14 | empty |
Compared structures
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 4RJ7 · PDBe 4RJ7 · UniProt P00533
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