Research workbench
Crystal structure of human proto-oncogene tyrosine-protein kinase receptor ret in complex with selpercatinib
Analyse Crystal structure of human proto-oncogene tyrosine-protein kinase receptor ret… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7DU8
- Type
- protein
- Length
- 565 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Proto-oncogene tyrosine-protein kinase receptor ret
- EC
- 2.7.10.1
- UniProt
- P07949
- Ligands
- Q6G
- Pockets
- 4 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase receptor ret (EC 2.7.10.1) | protein | 286 | 40% helix, 20% strand | P07949 |
| B | Proto-oncogene tyrosine-protein kinase receptor ret (EC 2.7.10.1) | protein | 279 | 45% helix, 19% strand | P07949 |
Ligands and binding sites
- Q6G · Selpercatinib · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.83 | 0.84 | 78 | Q6G |
| 2 | 83 | 0.37 | 0.77 | 15 | empty |
| 3 | 81 | 0.34 | 0.74 | 17 | empty |
| 4 | 51 | 0.26 | 0.74 | 10 | empty |
Interfaces
1 interface between chains.
- A–B · 1584 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 7DU8 · Crystal structure of human Proto-oncogene tyrosine-protein kinase receptor Ret in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P07949 · AlphaFold monomer V2.0 prediction for proto-oncogene tyrosine-protein kinase receptor ret… · a predicted model of the same protein · chain B 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 P07949
- Elsewhere: RCSB PDB 7DU8 · PDBe 7DU8 · UniProt P07949
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.