MolNFT v1 · #98816 · protein
EGFR L858R/T790M in complex with PD168393
4LL0 · Epidermal growth factor receptor: “EGFR L858R/T790M in complex with PD168393”. X-ray diffraction, 1 ligand (YUN), 6 pockets (best druggability 0.75). MolNFT v1 #98816 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LL0
- Type
- protein
- Length
- 572 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
- YUN
- Pockets
- 6 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 291 | 35% helix, 16% strand | P00533 |
| B | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 281 | 38% helix, 17% strand | P00533 |
Ligands and binding sites
- YUN · N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}propanamide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 533 | 0.75 | 0.83 | 56 | YUN |
| 2 | 486 | 0.73 | 0.82 | 55 | YUN |
| 3 | 148 | 0.51 | 0.79 | 24 | empty |
| 4 | 124 | 0.50 | 0.80 | 22 | empty |
| 5 | 119 | 0.39 | 0.74 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1077 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 covalent (covalent ligand).
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 4LL0 · PDBe 4LL0 · UniProt P00533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.