MolNFT v1 · #82949 · protein
EGFR kinase domain T790M/L858R mutant with tak-285
3W2O · Epidermal growth factor receptor: “EGFR kinase domain T790M/L858R mutant with tak-285”. X-ray diffraction, 1 ligand (03P), 3 pockets (best druggability 0.65). MolNFT v1 #82949 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3W2O
- Type
- protein
- Length
- 305 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
- 03P
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 305 | 39% helix, 20% strand | P00533 |
Ligands and binding sites
- 03P · N-{2-[4-({3-chloro-4-[3-(trifluoromethyl)phenoxy]phenyl}amino)-5H-pyrrolo[3,2-d]pyrimidin-5-yl]ethyl}-3-hydroxy-3-methylbutanamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 444 | 0.65 | 0.78 | 34 | 03P |
| 2 | 130 | 0.43 | 0.76 | 23 | empty |
| 3 | 69 | 0.31 | 0.74 | 22 | 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 3W2O · PDBe 3W2O · UniProt P00533
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