MolNFT v1 · #189555 · protein
Crystal structure of trka kinase with repotrectinib
7VKO · Tyrosine-protein kinase receptor: “Crystal structure of trka kinase with repotrectinib”. X-ray diffraction, 2 ligands (7GI, SO4), 3 pockets (best druggability 0.65). MolNFT v1 #189555 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7VKO
- Type
- protein
- Length
- 297 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tyrosine-protein kinase receptor
- EC
- 2.7.10.1
- UniProt
- J3KP20
- Ligands
- 7GI, SO4
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tyrosine-protein kinase receptor (EC 2.7.10.1) | protein | 297 | 37% helix, 19% strand | J3KP20 |
Ligands and binding sites
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 | 220 | 0.65 | 0.84 | 28 | 7GI |
| 2 | 385 | 0.62 | 0.77 | 38 | empty |
| 3 | 136 | 0.39 | 0.73 | 29 | SO4 |
Compared structures
- 7VKO · Crystal structure of TrkA kinase with repotrectinib · the same entry in another collection · chain A against A, TM-score 1.00
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 J3KP20
- Elsewhere: RCSB PDB 7VKO · PDBe 7VKO · UniProt J3KP20
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