MolNFT v1 · #40472 · protein
Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788
2ITP · Epidermal growth factor receptor precursor: “Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788”. X-ray diffraction, 1 ligand (AEE), 3 pockets (best druggability 0.65). MolNFT v1 #40472 on GenesisL1: 3D…
- PDB
- 2ITP
- Type
- protein
- Length
- 305 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epidermal growth factor receptor precursor
- EC
- 2.7.10.1
- UniProt
- P00533
- Ligands
- AEE
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor precursor (EC 2.7.10.1) | protein | 305 | 38% helix, 19% strand | P00533 |
Ligands and binding sites
- AEE · 6-{4-[(4-ethylpiperazin-1-yl)methyl]phenyl}-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine · 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 | 401 | 0.65 | 0.79 | 47 | AEE |
| 2 | 71 | 0.40 | 0.79 | 18 | empty |
| 3 | 93 | 0.40 | 0.77 | 20 | empty |
Compared structures
- 2ITP · Crystal structure of EGFR kinase domain G719S mutation in complex with AEE788 · 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 0.96
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 2ITP · PDBe 2ITP · UniProt P00533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.