MolNFT v1 · #40471 · protein
Crystal structure of EGFR kinase domain G719S mutation in complex with iressa
2ITO · Epidermal growth factor receptor: “Crystal structure of EGFR kinase domain G719S mutation in complex with iressa”. X-ray diffraction, 1 ligand (IRE), 4 pockets (best druggability 0.66). MolNFT v1 #40471 on GenesisL1: 3D structure…
- PDB
- 2ITO
- Type
- protein
- Length
- 303 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
- IRE
- Pockets
- 4 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 303 | 37% helix, 17% strand | P00533 |
Ligands and binding sites
- IRE · Gefitinib · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 418 | 0.66 | 0.79 | 45 | IRE |
| 2 | 130 | 0.46 | 0.77 | 18 | empty |
| 3 | 106 | 0.41 | 0.76 | 20 | empty |
| 4 | 108 | 0.40 | 0.76 | 21 | empty |
Compared structures
- 2ITO · Crystal structure of EGFR kinase domain G719S mutation in complex with Iressa · the same entry in another collection · chain A against A, TM-score 1.00
- P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 2ITO · PDBe 2ITO · UniProt P00533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.