MolNFT v1 · #184922 · protein
Crystal structure of phosphorylated PT220 casein kinase I delta (CK1D), conformation 2 and 3
7P7G · Casein kinase I isoform delta: “Crystal structure of phosphorylated PT220 casein kinase I delta (CK1D), conformation 2 and 3”. X-ray diffraction, 1 ligand (AMP), 7 pockets (best druggability 0.62). MolNFT v1 #184922 on GenesisL1: 3D…
- PDB
- 7P7G
- Type
- protein
- Length
- 570 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
- AMP
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 19% 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 | 287 | 37% helix, 18% strand | P48730 |
| B | Casein kinase I isoform delta (EC 2.7.11.1, 2.7.11.26) | protein | 283 | 39% helix, 19% strand | P48730 |
Ligands and binding sites
- AMP · Adenosine monophosphate · ligand · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 5 copies · chains A, B
- CIT · Citric acid · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 424 | 0.62 | 0.77 | 47 | EDO |
| 2 | 161 | 0.61 | 0.84 | 26 | AMP |
| 3 | 269 | 0.60 | 0.79 | 36 | EDO |
| 4 | 217 | 0.58 | 0.80 | 30 | AMP |
| 5 | 91 | 0.51 | 0.83 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 604 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7P7G · Crystal structure of phosphorylated pT220 Casein Kinase I delta (CK1d), conformation 2… · the same entry in another collection · chain A against A, TM-score 1.00
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 7P7G · PDBe 7P7G · UniProt P48730
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