Research workbench
Crystal structure of human cdc-like kinase 3 isoform in complex with leucettine L41
Analyse Crystal structure of human cdc-like kinase 3 isoform in complex with leucettine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3RAW
- Type
- protein
- Length
- 700 residues
- Chains
- 2
- 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
- 3RA
- Pockets
- 4 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity protein kinase CLK3 (EC 2.7.12.1) | protein | 351 | 38% helix, 20% strand | P49761 |
| B | Dual specificity protein kinase CLK3 (EC 2.7.12.1) | protein | 349 | 39% helix, 21% strand | P49761 |
Ligands and binding sites
- 3RA · 5-(1,3-benzodioxol-5-ylmethyl)-2-(phenylamino)-4H-imidazol-4-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 390 | 0.70 | 0.82 | 46 | 3RA |
| 2 | 379 | 0.69 | 0.81 | 47 | 3RA |
| 3 | 311 | 0.60 | 0.78 | 36 | empty |
| 4 | 189 | 0.57 | 0.80 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 866 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 3RAW · Crystal Structure of human CDC-like kinase 3 isoform in complex with leucettine L41 · 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 B 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 3RAW · PDBe 3RAW · UniProt P49761
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.