MolNFT v1 · #179060 · protein
Structure of ret protein tyrosine kinase in complex with pralsetinib
7JU5 · Proto-oncogene tyrosine-protein kinase receptor ret: “Structure of ret protein tyrosine kinase in complex with pralsetinib”. X-ray diffraction, 1 ligand (Q4J), 3 pockets (best druggability 0.82). MolNFT v1 #179060 on GenesisL1: 3D…
- PDB
- 7JU5
- Type
- protein
- Length
- 577 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
- Q4J
- Pockets
- 3 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Proto-oncogene tyrosine-protein kinase receptor ret (EC 2.7.10.1) | protein | 287 | 44% helix, 20% strand | P07949 |
| B | Proto-oncogene tyrosine-protein kinase receptor ret (EC 2.7.10.1) | protein | 290 | 39% helix, 21% strand | P07949 |
Ligands and binding sites
- Q4J · Pralsetinib · ligand · 2 copies · chains A, B
- FMT · Formic acid · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1194 | 0.82 | 0.83 | 85 | Q4J |
| 2 | 259 | 0.59 | 0.79 | 44 | FMT |
| 3 | 50 | 0.42 | 0.83 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1656 Ų buried · 19 hydrogen bonds · protein-protein
Compared structures
- 7JU5 · Structure of RET protein tyrosine kinase in complex with pralsetinib · 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 7JU5 · PDBe 7JU5 · UniProt P07949
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