MolNFT v1 · #115134 · protein
EGFR kinase domain mutant "tmlr" with compound 24
5CAL · Epidermal growth factor receptor: “EGFR kinase domain mutant "tmlr" with compound 24”. X-ray diffraction, 1 ligand (4Z8), 3 pockets (best druggability 0.61). MolNFT v1 #115134 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5CAL
- Type
- protein
- Length
- 300 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
- 4Z8
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 300 | 39% helix, 16% strand | P00533 |
Ligands and binding sites
- 4Z8 · 2,2-dimethyl-3-[(4-{[2-methyl-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-yl]amino}pyrimidin-2-yl) amino]propanamide · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 313 | 0.61 | 0.78 | 34 | 4Z8 |
| 2 | 175 | 0.53 | 0.78 | 21 | empty |
| 3 | 132 | 0.52 | 0.80 | 20 | 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 5CAL · PDBe 5CAL · UniProt P00533
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