MolNFT v1 · #111494 · protein
Calcium-dependent protein kinase from eimeria tenella in complex with ADP
4YSJ · Calmodulin-like domain protein kinase: “Calcium-dependent protein kinase from eimeria tenella in complex with ADP”. X-ray diffraction, 3 ligands (ADP, CA, MG), 15 pockets (best druggability 0.70). MolNFT v1 #111494 on GenesisL1: 3D…
- PDB
- 4YSJ
- Type
- protein
- Length
- 921 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calmodulin-like domain protein kinase
- UniProt
- Q3HNM4
- Ligands
- ADP, CA, MG
- Pockets
- 15 · best druggability 0.70
Structure
x-ray diffraction · 2 distinct chains · 49% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calmodulin-like domain protein kinase | protein | 459 | 49% helix, 14% strand | Q3HNM4 |
| B | Calmodulin-like domain protein kinase | protein | 462 | 48% helix, 13% strand | Q3HNM4 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 8 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 53 | 0.70 | 0.98 | 24 | empty |
| 2 | 284 | 0.66 | 0.82 | 41 | MG, ADP |
| 3 | 299 | 0.65 | 0.81 | 42 | MG, ADP |
| 4 | 243 | 0.62 | 0.81 | 33 | empty |
| 5 | 393 | 0.62 | 0.77 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 19 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 4YSJ · Calcium-Dependent Protein Kinase from Eimeria tenella in complex with ADP · 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 Q3HNM4
- Elsewhere: RCSB PDB 4YSJ · PDBe 4YSJ · UniProt Q3HNM4
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