MolNFT v1 · #93906 · protein
Crystal structure of CK1D with compound 13
4HGT · Casein kinase I isoform delta: “Crystal structure of CK1D with compound 13”. X-ray diffraction, 1 ligand (15G), 3 pockets (best druggability 0.72). MolNFT v1 #93906 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4HGT
- Type
- protein
- Length
- 563 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Casein kinase I isoform delta
- EC
- 2.7.11.1, 2.7.11.26
- UniProt
- P48730
- Ligands
- 15G
- Pockets
- 3 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Casein kinase I isoform delta (EC 2.7.11.1, 2.7.11.26) | protein | 283 | 40% helix, 18% strand | P48730 |
| B | Casein kinase I isoform delta (EC 2.7.11.1, 2.7.11.26) | protein | 280 | 40% helix, 18% strand | P48730 |
Ligands and binding sites
- 15G · 2-{2-[(3,4-difluorophenoxy)methyl]-5-methoxypyridin-4-yl}-1,5,6,7-tetrahydro-4H-pyrrolo[3,2-c]pyridin-4-one · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 347 | 0.72 | 0.84 | 46 | 15G |
| 2 | 273 | 0.67 | 0.82 | 28 | 15G |
| 3 | 278 | 0.56 | 0.77 | 25 | empty |
Interfaces
1 interface between chains.
- A–B · 923 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
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 P48730
- Elsewhere: RCSB PDB 4HGT · PDBe 4HGT · UniProt P48730
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.