MolNFT v1 · #191333 · protein
Crystal structure of EGFR lrtm with compound 24
8D76 · Epidermal growth factor receptor: “Crystal structure of EGFR lrtm with compound 24”. X-ray diffraction, 1 ligand (QFO), 5 pockets (best druggability 0.76). MolNFT v1 #191333 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 8D76
- Type
- protein
- Length
- 625 residues
- Chains
- 2
- 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
- QFO
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 312 | 43% helix, 19% strand | P00533 |
| B | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 313 | 43% helix, 19% strand | P00533 |
Ligands and binding sites
- QFO · (3S,4R)-3-fluoro-1-(4-{[8-{3-[(methanesulfonyl) methyl]azetidin-1-yl}-5-(propan-2-yl)-2,7-naphthyridin-3-yl]amino}pyrimidin-2-yl)-3-methylpiperidin-4-ol · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 859 | 0.76 | 0.79 | 70 | GOL |
| 2 | 461 | 0.65 | 0.77 | 42 | QFO, GOL |
| 3 | 326 | 0.64 | 0.79 | 39 | QFO |
| 4 | 516 | 0.63 | 0.75 | 64 | GOL |
| 5 | 53 | 0.27 | 0.74 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 564 Ų buried · 5 hydrogen bonds · protein-protein
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 8D76 · PDBe 8D76 · UniProt P00533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.