MolNFT v1 · #50384 · protein
Structure of EGFR in complex with hydrazone, a potent dual inhibitor
2RGP · Epidermal growth factor receptor: “Structure of EGFR in complex with hydrazone, a potent dual inhibitor”. X-ray diffraction, 2 ligands (HYZ, PO4), 4 pockets (best druggability 0.73). MolNFT v1 #50384 on GenesisL1: 3D structure…
- PDB
- 2RGP
- Type
- protein
- Length
- 284 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
- HYZ, PO4
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 284 | 40% helix, 19% strand | P00533 |
Ligands and binding sites
- HYZ · N-[1-(3-fluorobenzyl)-1H-indazol-5-yl]-5-[(piperidin-1-ylamino)methyl]pyrimidine-4,6-diamine · ligand · chains A
- PO4 · Phosphate ion · ion · 2 copies · 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 | 348 | 0.73 | 0.84 | 41 | HYZ |
| 2 | 120 | 0.43 | 0.76 | 22 | empty |
| 3 | 66 | 0.35 | 0.77 | 18 | empty |
| 4 | 50 | 0.30 | 0.76 | 12 | empty |
Compared structures
- 2RGP · Structure of EGFR in complex with hydrazone, a potent dual inhibitor · 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 0.94
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 2RGP · PDBe 2RGP · UniProt P00533
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