MolNFT v1 · #50338 · protein
Crystal structure of the complex between the EGFR kinase domain and a MIG6 peptide
2RFE · Epidermal growth factor receptor: “Crystal structure of the complex between the EGFR kinase domain and a MIG6 peptide”. X-ray diffraction, 17 pockets (best druggability 0.74). MolNFT v1 #50338 on GenesisL1: 3D structure, binding…
- PDB
- 2RFE
- Type
- protein
- Length
- 1,149 residues
- Chains
- 6
- 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
- 17 · best druggability 0.74
Structure
x-ray diffraction · 6 distinct chains · 37% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 286 | 34% helix, 19% strand | P00533 |
| B | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 273 | 39% helix, 20% strand | P00533 |
| C | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 262 | 40% helix, 17% strand | P00533 |
| D | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 278 | 40% helix, 18% strand | P00533 |
| E | Erbb receptor feedback inhibitor 1 | protein | 26 | 0% helix, 8% strand | Q9UJM3 |
| F | Erbb receptor feedback inhibitor 1 | protein | 24 | 13% helix, 8% strand | Q9UJM3 |
Pockets
17 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1126 | 0.74 | 0.77 | 101 | empty |
| 2 | 375 | 0.71 | 0.83 | 35 | empty |
| 3 | 394 | 0.69 | 0.81 | 32 | empty |
| 4 | 425 | 0.69 | 0.80 | 52 | empty |
| 5 | 381 | 0.68 | 0.80 | 44 | empty |
Interfaces
7 interfaces between chains.
- A–E · 930 Ų buried · 16 hydrogen bonds · protein-protein
- B–F · 903 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 494 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 257 Ų buried · 6 hydrogen bonds · protein-protein
- B–D · 204 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2RFE · Crystal structure of the complex between the EGFR kinase domain and a Mig6 peptide · the same entry in another collection · chain F against F, TM-score 1.00
- P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain C against A, TM-score 0.95
- Q9UJM3 · AlphaFold monomer V2.0 prediction for erbb receptor feedback inhibitor 1 (Q9UJM3) · a predicted model of the same protein · chain E against A, TM-score 0.79
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 2RFE · PDBe 2RFE · UniProt P00533 · UniProt Q9UJM3
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