MolNFT v1 · #171117 · protein
CLK3 A319V mutant bound with benzothiazole TG003 (cpd 2)
6YTY · Dual specificity protein kinase CLK3: “CLK3 A319V mutant bound with benzothiazole TG003 (cpd 2)”. X-ray diffraction, 1 ligand (EAE), 2 pockets (best druggability 0.63). MolNFT v1 #171117 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6YTY
- Type
- protein
- Length
- 353 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
- EAE
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity protein kinase CLK3 (EC 2.7.12.1) | protein | 353 | 38% helix, 20% strand | P49761 |
Ligands and binding sites
- EAE · (1~{Z})-1-(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one · ligand · 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
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 | 305 | 0.63 | 0.79 | 28 | EAE |
| 2 | 50 | 0.29 | 0.75 | 20 | empty |
Compared structures
- 6YTY · CLK3 A319V mutant bound with benzothiazole Tg003 (Cpd 2) · 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 6YTY · PDBe 6YTY · UniProt P49761
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