MolNFT v1 · #126259 · protein
Crystal structure of DYRK2 in complex with eht 1610 (compound 2)
5LXD · Dual specificity tyrosine-phosphorylation-regulated kinase 2: “Crystal structure of DYRK2 in complex with eht 1610 (compound 2)”. X-ray diffraction, 1 ligand (7A7), 4 pockets (best druggability 0.71). MolNFT v1 #126259 on GenesisL1…
- PDB
- 5LXD
- Type
- protein
- Length
- 772 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity tyrosine-phosphorylation-regulated kinase 2
- EC
- 2.7.12.1
- UniProt
- Q92630
- Ligands
- 7A7
- Pockets
- 4 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Dual specificity tyrosine-phosphorylation-regulated kinase 2 (EC 2.7.12.1) | protein | 386 | 36% helix, 18% strand | Q92630 |
Ligands and binding sites
- 7A7 · Methyl 9-[(2-fluoranyl-4-methoxy-phenyl)amino]-[1, 3]thiazolo[5,4-f]quinazoline-2-carboximidate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 10 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 793 | 0.71 | 0.77 | 95 | 7A7 |
| 2 | 419 | 0.67 | 0.80 | 52 | 7A7 |
| 3 | 350 | 0.59 | 0.76 | 34 | EDO |
| 4 | 138 | 0.42 | 0.75 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 770 Ų buried · 19 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
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 Q92630
- Elsewhere: RCSB PDB 5LXD · PDBe 5LXD · UniProt Q92630
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.