MolNFT v1 · #109578 · protein
An isoform-specific myristylation switch targets riib PKA holoenzymes to membranes
4X6R · Camp-dependent protein kinase catalytic subunit alpha: “An isoform-specific myristylation switch targets riib PKA holoenzymes to membranes”. X-ray diffraction, 5 ligands (ATP, TAM, MYR), 11 pockets (best druggability 0.79). MolNFT…
- PDB
- 4X6R
- Type
- protein
- Length
- 640 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha; Camp-dependent protein kinase type…
- EC
- 2.7.11.11
- UniProt
- P05132, P00514
- Ligands
- ATP, TAM, MYR, MG, SO4
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 35% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 350 | 37% helix, 15% strand | P05132 |
| B | Camp-dependent protein kinase type I-alpha regulatory subunit | protein | 290 | 32% helix, 31% strand | P00514 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A, B
- TAM · Tris(hydroxyethyl)aminomethane · ligand · chains A, B
- MYR · Myristic acid · ligand · chains A
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.79 | 0.94 | 37 | ATP, MG |
| 2 | 941 | 0.77 | 0.79 | 70 | SO4 |
| 3 | 106 | 0.55 | 0.83 | 17 | MYR |
| 4 | 240 | 0.54 | 0.77 | 25 | empty |
| 5 | 92 | 0.41 | 0.78 | 20 | SO4 |
Interfaces
1 interface between chains.
- A–B · 2100 Ų buried · 40 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified, 1 lipid (phosphorylation, myristoylation).
Compared structures
- 4X6R · An Isoform-specific Myristylation Switch Targets RIIb PKA Holoenzymes to Membranes · the same entry in another collection · chain A against A, TM-score 1.00
- P00514 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type I-alpha… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P05132
- Every structure of UniProt P00514
- Elsewhere: RCSB PDB 4X6R · PDBe 4X6R · UniProt P05132 · UniProt P00514
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