MolNFT v1 · #151107 · protein
Human DYRK2 bound to curcumin
6HDR · Dual specificity tyrosine-phosphorylation-regulated kinase 2: “Human DYRK2 bound to curcumin”. X-ray diffraction, 2 ligands (CC9, PO4), 3 pockets (best druggability 0.64). MolNFT v1 #151107 on GenesisL1: 3D structure, binding sites…
- PDB
- 6HDR
- Type
- protein
- Length
- 407 residues
- Chains
- 1
- 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
- CC9, PO4
- Pockets
- 3 · best druggability 0.64
Structure
x-ray diffraction · 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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