Research workbench
Crystal structure of di-phosphorylated human CLK1 in complex with 4- (6,7-dichloro-1H-indol-3-YL)PYRIMIDIN-2-amine
Analyse Crystal structure of di-phosphorylated human CLK1 in complex with 4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R3D
- Type
- protein
- Length
- 330 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dual specificity protein kinase CLK1
- EC
- 2.7.12.1
- UniProt
- P49759
- Ligands
- JQW
- Pockets
- 3 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity protein kinase CLK1 (EC 2.7.12.1) | protein | 330 | 40% helix, 21% strand | P49759 |
Ligands and binding sites
- JQW · 4-[6,7-bis(chloranyl)-1~{H}-indol-3-yl]pyrimidin-2-amine · ligand · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 293 | 0.65 | 0.81 | 34 | JQW |
| 2 | 51 | 0.27 | 0.74 | 12 | empty |
| 3 | 53 | 0.26 | 0.74 | 15 | empty |
Compared structures
- 6R3D · Crystal structure of di-phosphorylated human CLK1 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- P49759 · AlphaFold monomer V2.0 prediction for dual specificity protein kinase CLK1 (P49759) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P49759
- Elsewhere: RCSB PDB 6R3D · PDBe 6R3D · UniProt P49759
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