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MolNFT v1 · #151105 · protein

Human DYRK2 bound to scorzodihydrostilbene a

6HDP · Dual specificity tyrosine-phosphorylation-regulated kinase 2: “Human DYRK2 bound to scorzodihydrostilbene a”. X-ray diffraction, 2 ligands (FZ5, NA), 3 pockets (best druggability 0.67). MolNFT v1 #151105 on GenesisL1: 3D structure…

PDB
6HDP
Type
protein
Length
409 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
FZ5, NA
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 34% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADual specificity tyrosine-phosphorylation-regulated kinase 2 (EC 2.7.12.1)protein40934% helix, 18% strandQ92630

Ligands and binding sites

  • FZ5 · Scorzodihydrostilbene A · ligand · chains A
  • NA · Sodium ion · metal

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13400.670.8141FZ5
2620.390.8016empty
3530.300.7512empty

Modifications

Observed in the structure: 2 modified (phosphorylation).

Compared structures

  • 6HDP · Human DYRK2 bound to Scorzodihydrostilbene A · the same entry in another collection · chain A against A, TM-score 1.00
  • Q92630 · AlphaFold monomer V2.0 prediction for dual specificity tyrosine… · a predicted model of the same protein · chain A against A, TM-score 0.95

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