MolNFT v1 · #86208 · protein
Human DYRK2 in complex with leucettine L41
4AZF · DYRK2 dual-specificity tyrosine-phosphorylation regulated…: “Human DYRK2 in complex with leucettine L41”. X-ray diffraction, 2 ligands (3RA, PO4), 4 pockets (best druggability 0.65). MolNFT v1 #86208 on GenesisL1: 3D structure…
- PDB
- 4AZF
- Type
- protein
- Length
- 407 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DYRK2 dual-specificity tyrosine-phosphorylation regulated kinase 2
- EC
- 2.7.11.1
- UniProt
- Q92630
- Ligands
- 3RA, PO4
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 35% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DYRK2 dual-specificity tyrosine-phosphorylation regulated kinase 2 (EC 2.7.11.1) | protein | 407 | 35% helix, 18% strand | Q92630 |
Ligands and binding sites
- 3RA · 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one · ligand · chains A
- PO4 · Phosphate ion · ion · chains A
- EDO · 1,2-ethanediol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 384 | 0.65 | 0.79 | 47 | 3RA |
| 2 | 60 | 0.37 | 0.79 | 20 | empty |
| 3 | 52 | 0.31 | 0.76 | 14 | empty |
| 4 | 58 | 0.30 | 0.75 | 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 4AZF · PDBe 4AZF · UniProt Q92630
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