MolNFT v1 · #117623 · protein
EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}- indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-FURO[3,4- D]PYRIMIDIN-4-amine
5EDR · Epidermal growth factor receptor: “EGFR kinase (T790M/L858R) with inhibitor compound 27: ~{N}-(1~{H}…”. X-ray diffraction, 1 ligand (5N4), 2 pockets (best druggability 0.67). MolNFT v1 #117623 on GenesisL1: 3D structure, binding…
- PDB
- 5EDR
- Type
- protein
- Length
- 299 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
- 5N4
- Pockets
- 2 · best druggability 0.67
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 | 299 | 39% helix, 16% strand | P00533 |
Ligands and binding sites
- 5N4 · ~{N}-(1~{H}-indazol-3-yl)-7,7-dimethyl-2-(2-methylpyrazol-3-yl)-5~{H}-furo[3,4-d]pyrimidin-4-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 | 485 | 0.67 | 0.78 | 51 | 5N4 |
| 2 | 134 | 0.52 | 0.80 | 24 | 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 5EDR · PDBe 5EDR · UniProt P00533
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