MolNFT v1 · #191332 · protein
Crystal structure of EGFR lrtm with compound 7
8D73 · Epidermal growth factor receptor: “Crystal structure of EGFR lrtm with compound 7”. X-ray diffraction, 1 ligand (QCR), 4 pockets (best druggability 0.73). MolNFT v1 #191332 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 8D73
- Type
- protein
- Length
- 618 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
- QCR
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 309 | 44% helix, 19% strand | P00533 |
| B | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 309 | 44% helix, 19% strand | P00533 |
Ligands and binding sites
- QCR · (3S,4R)-3-fluoro-1-(4-{[4-(methylamino)-1-(propan-2-yl)pyrido[3,4-d]pyridazin-7-yl]amino}pyrimidin-2-yl) piperidin-4-ol · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 690 | 0.73 | 0.79 | 59 | empty |
| 2 | 673 | 0.69 | 0.77 | 63 | GOL, QCR |
| 3 | 283 | 0.62 | 0.79 | 35 | GOL, QCR |
| 4 | 71 | 0.29 | 0.73 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 518 Ų buried · 4 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 8D73 · PDBe 8D73 · UniProt P00533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.