MolNFT v1 · #139015 · protein
Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5)
5X27 · Epidermal growth factor receptor: “Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5)”. X-ray diffraction, 2 ligands (7XR, CL), 3 pockets (best druggability 0.61). MolNFT v1 #139015 on GenesisL1: 3D structure, binding…
- PDB
- 5X27
- 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
- 7XR, CL
- Pockets
- 3 · best druggability 0.61
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 302 | 37% helix, 19% strand | P00533 |
Ligands and binding sites
- 7XR · 9-cyclopentyl-N2-[4-(4-methylpiperazin-1-yl)phenyl]-N8-phenyl-purine-2,8-diamine · ligand · chains A
- CL · Chloride ion · ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 350 | 0.61 | 0.78 | 39 | 7XR |
| 2 | 201 | 0.54 | 0.79 | 30 | empty |
| 3 | 94 | 0.39 | 0.77 | 22 | empty |
Compared structures
- 5X27 · Crystal structure of EGFR 696-1022 L858R in complex with SKLB(5) · 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 0.95
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 5X27 · PDBe 5X27 · UniProt P00533
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