MolNFT v1 · #149378 · protein
X-ray structure of CLK3-KD(GP-[275-632], non-PHOS.)/CPD-2 at 1.42A
6FYR · Dual specificity protein kinase CLK3: “X-ray structure of CLK3-KD(GP-[275-632], non-PHOS.)/CPD-2 at 1.42A”. X-ray diffraction, 1 ligand (EAQ), 3 pockets (best druggability 0.63). MolNFT v1 #149378 on GenesisL1: 3D structure, binding…
- PDB
- 6FYR
- Type
- protein
- Length
- 355 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
- EAQ
- Pockets
- 3 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Dual specificity protein kinase CLK3 (EC 2.7.12.1) | protein | 355 | 39% helix, 19% strand | P49761 |
Ligands and binding sites
- EAQ · 6-~{tert}-butyl-~{N}-[6-(1~{H}-pyrazol-4-yl)-1~{H}-imidazo[1,2-a]pyridin-2-yl]pyridine-3-carboxamide · 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 | 271 | 0.63 | 0.80 | 25 | EAQ |
| 2 | 62 | 0.34 | 0.77 | 12 | empty |
| 3 | 61 | 0.31 | 0.76 | 18 | empty |
Compared structures
- 6FYR · X-RAY STRUCTURE OF CLK3-KD(GP-[275-632], NON-PHOS.)/Cpd-2 AT 1.42A · 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 6FYR · PDBe 6FYR · UniProt P49761
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