MolNFT v1 · #115070 · protein
EGFR kinase domain mutant "tmlr" with compound 17
5C8M · Epidermal growth factor receptor: “EGFR kinase domain mutant "tmlr" with compound 17”. X-ray diffraction, 1 ligand (4YW), 2 pockets (best druggability 0.66). MolNFT v1 #115070 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 5C8M
- Type
- protein
- Length
- 302 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
- 4YW
- Pockets
- 2 · 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 | 302 | 37% helix, 17% strand | P00533 |
Ligands and binding sites
- 4YW · 2-methyl-N-{2-[4-(methylsulfonyl)piperidin-1-yl]pyrimidin-4-yl}-1-(propan-2-yl)-1H-imidazo[4,5-c]pyridin-6-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 399 | 0.66 | 0.79 | 40 | 4YW |
| 2 | 202 | 0.53 | 0.77 | 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 5C8M · PDBe 5C8M · UniProt P00533
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