Research workbench
Human DYRK2 bound to Curcumin
Analyse Human DYRK2 bound to Curcumin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6HDR
- Type
- protein
- Length
- 407 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.2
- Source
- Homo sapiens
- Molecule
- Dual specificity tyrosine-phosphorylation-regulated kinase 2
- EC
- 2.7.12.1
- UniProt
- Q92630
- Ligands
- CC9, PO4
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · resolution 2.2 · 1 distinct chain · 34% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity tyrosine-phosphorylation-regulated kinase 2 (EC 2.7.12.1) | protein | 407 | 34% helix, 19% strand | Q92630 |
Ligands and binding sites
- CC9 · curcumin · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- DTD · Dithiane diol · additive · chains A
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 | 229 | 0.64 | 0.82 | 30 | CC9, DTD |
| 2 | 196 | 0.54 | 0.79 | 31 | empty |
| 3 | 58 | 0.32 | 0.76 | 13 | empty |
Modifications
Observed in the structure: 3 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 6HDR · PDBe 6HDR · UniProt Q92630
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