MolNFT v1 · #40473 · protein
Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941
2ITQ · Epidermal growth factor receptor: “Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941”. X-ray diffraction, 1 ligand (ITQ), 2 pockets (best druggability 0.63). MolNFT v1 #40473 on GenesisL1: 3D structure…
- PDB
- 2ITQ
- 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
- ITQ
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 300 | 38% helix, 20% strand | P00533 |
Ligands and binding sites
- ITQ · 1,2,3,4-Tetrahydrogen Staurosporine · 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 | 397 | 0.63 | 0.78 | 47 | ITQ |
| 2 | 166 | 0.51 | 0.78 | 18 | empty |
Compared structures
- 2ITQ · Crystal structure of EGFR kinase domain G719S mutation in complex with AFN941 · 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 2ITQ · PDBe 2ITQ · UniProt P00533
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