MolNFT v1 · #30821 · protein
Regulatory apparatus of calcium dependent protein kinase from arabidopsis thaliana
2AAO · Calcium-dependent protein kinase, isoform AK1: “Regulatory apparatus of calcium dependent protein kinase from arabidopsis thaliana”. X-ray diffraction, 1 ligand (CA), 2 pockets (best druggability 0.45). MolNFT v1 #30821 on…
- PDB
- 2AAO
- Type
- protein
- Length
- 287 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Calcium-dependent protein kinase, isoform AK1
- EC
- 2.7.1.-
- UniProt
- Q06850
- Ligands
- CA
- Pockets
- 2 · best druggability 0.45
Structure
x-ray diffraction · 2 distinct chains · 60% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Calcium-dependent protein kinase, isoform AK1 (EC 2.7.1.-) | protein | 147 | 63% helix, 3% strand | Q06850 |
| B | Calcium-dependent protein kinase, isoform AK1 (EC 2.7.1.-) | protein | 140 | 56% helix, 4% strand | Q06850 |
Ligands and binding sites
- CA · Calcium ion · metal · 9 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 103 | 0.45 | 0.79 | 16 | empty |
| 2 | 61 | 0.32 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–B · 1698 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 2AAO · Regulatory apparatus of Calcium Dependent protein kinase from Arabidopsis thaliana · the same entry in another collection · chain A against A, TM-score 1.00
- Q06850 · AlphaFold monomer V2.0 prediction for calcium-dependent protein kinase 1 (Q06850) · a predicted model of the same protein · chain B against A, TM-score 0.54
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 Q06850
- Elsewhere: RCSB PDB 2AAO · PDBe 2AAO · UniProt Q06850
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