MolNFT v1 · #94616 · protein
Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide
4I21 · Epidermal growth factor receptor: “Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide”. X-ray diffraction, 5 pockets (best druggability 0.64). MolNFT v1 #94616 on GenesisL1: 3D structure, binding…
- PDB
- 4I21
- Type
- protein
- Length
- 648 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Epidermal growth factor receptor; Erbb receptor feedback inhibitor 1
- EC
- 2.7.10.1
- UniProt
- P00533, Q9UJM3
- Pockets
- 5 · best druggability 0.64
Structure
x-ray diffraction · 4 distinct chains · 32% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 290 | 35% helix, 20% strand | P00533 |
| B | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 302 | 33% helix, 19% strand | P00533 |
| C | Erbb receptor feedback inhibitor 1 | protein | 30 | 10% helix, 7% strand | Q9UJM3 |
| D | Erbb receptor feedback inhibitor 1 | protein | 26 | 12% helix, 8% strand | Q9UJM3 |
Pockets
5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 351 | 0.64 | 0.79 | 46 | empty |
| 2 | 357 | 0.63 | 0.78 | 35 | empty |
| 3 | 251 | 0.63 | 0.81 | 30 | empty |
| 4 | 248 | 0.61 | 0.80 | 30 | empty |
| 5 | 68 | 0.28 | 0.72 | 16 | empty |
Interfaces
3 interfaces between chains.
- A–C · 1020 Ų buried · 17 hydrogen bonds · protein-protein
- B–D · 914 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 831 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 4I21 · Crystal structure of L858R + T790M EGFR kinase domain in complex with MIG6 peptide · the same entry in another collection · chain D against D, 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 0.92
- Q9UJM3 · AlphaFold monomer V2.0 prediction for erbb receptor feedback inhibitor 1 (Q9UJM3) · a predicted model of the same protein · chain C against A, TM-score 0.78
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
- Every structure of UniProt Q9UJM3
- Elsewhere: RCSB PDB 4I21 · PDBe 4I21 · UniProt P00533 · UniProt Q9UJM3
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