MolNFT v1 · #105903 · protein
Crystal structure of an EGFR/HER3 kinase domain heterodimer
4RIW · Receptor tyrosine-protein kinase erbb-3: “Crystal structure of an EGFR/HER3 kinase domain heterodimer”. X-ray diffraction, 3 ligands (ANP, ADP, MG), 10 pockets (best druggability 0.71). MolNFT v1 #105903 on GenesisL1: 3D structure…
- PDB
- 4RIW
- Type
- protein
- Length
- 1,134 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Receptor tyrosine-protein kinase erbb-3; Epidermal growth factor receptor
- EC
- 2.7.10.1
- UniProt
- P21860, P00533
- Ligands
- ANP, ADP, MG
- Pockets
- 10 · best druggability 0.71
Structure
x-ray diffraction · 4 distinct chains · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Receptor tyrosine-protein kinase erbb-3 (EC 2.7.10.1) | protein | 269 | 36% helix, 17% strand | P21860 |
| B | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 293 | 33% helix, 19% strand | P00533 |
| C | Receptor tyrosine-protein kinase erbb-3 (EC 2.7.10.1) | protein | 275 | 37% helix, 16% strand | P21860 |
| D | Epidermal growth factor receptor (EC 2.7.10.1) | protein | 297 | 35% helix, 19% strand | P00533 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · 2 copies · chains A, C
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains B, D
- MG · Magnesium ion · metal · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 354 | 0.71 | 0.83 | 43 | ANP, MG |
| 2 | 1138 | 0.70 | 0.75 | 104 | empty |
| 3 | 659 | 0.68 | 0.77 | 69 | ADP, MG |
| 4 | 306 | 0.65 | 0.81 | 31 | ANP, MG |
| 5 | 308 | 0.64 | 0.80 | 46 | ADP |
Interfaces
3 interfaces between chains.
- C–D · 1592 Ų buried · 18 hydrogen bonds · protein-protein
- A–B · 1470 Ų buried · 14 hydrogen bonds · protein-protein
- B–D · 434 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4RIW · Crystal structure of an EGFR/HER3 kinase domain heterodimer · the same entry in another collection · chain D against D, TM-score 1.00
- P21860 · AlphaFold monomer V2.0 prediction for receptor tyrosine-protein kinase erbb-3 (P21860) · a predicted model of the same protein · chain A against A, TM-score 0.97
- P00533 · AlphaFold monomer V2.0 prediction for epidermal growth factor receptor (P00533) · a predicted model of the same protein · chain D against A, TM-score 0.96
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 P21860
- Every structure of UniProt P00533
- Elsewhere: RCSB PDB 4RIW · PDBe 4RIW · UniProt P21860 · UniProt P00533
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.