MolNFT v1 · #53423 · protein
Crystal structure of the human CLK3 in complex with V25
2WU7 · Dual specificity protein kinase CLK3: “Crystal structure of the human CLK3 in complex with V25”. X-ray diffraction, 3 ligands (V25, SO4, CL), 2 pockets (best druggability 0.70). MolNFT v1 #53423 on GenesisL1: 3D structure, binding…
- PDB
- 2WU7
- Type
- protein
- Length
- 348 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity protein kinase CLK3
- EC
- 2.7.12.1
- UniProt
- P49761
- Ligands
- V25, SO4, CL
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity protein kinase CLK3 (EC 2.7.12.1) | protein | 348 | 39% helix, 21% strand | P49761 |
Ligands and binding sites
- V25 · ethyl 3-[(E)-2-amino-1-cyanoethenyl]-6,7-dichloro-1-methyl-1H-indole-2-carboxylate · ligand · chains A
- SO4 · Sulfate ion · ion · 5 copies · chains A
- CL · Chloride ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 335 | 0.70 | 0.83 | 43 | V25 |
| 2 | 75 | 0.35 | 0.76 | 20 | empty |
Compared structures
- 2WU7 · Crystal Structure of the Human CLK3 in complex with V25 · the same entry in another collection · chain A against A, TM-score 1.00
- P49761 · AlphaFold monomer V2.0 prediction for dual specificity protein kinase CLK3 (P49761) · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P49761
- Elsewhere: RCSB PDB 2WU7 · PDBe 2WU7 · UniProt P49761
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