MolNFT v1 · #108582 · protein
Single turnover autophosphorylation cycle of the PKA riib holoenzyme
4WBB · Camp-dependent protein kinase type II-beta regulatory…: “Single turnover autophosphorylation cycle of the PKA riib holoenzyme”. X-ray diffraction, 2 ligands (ADP, CA), 10 pockets (best druggability 0.78). MolNFT v1 #108582 on…
- PDB
- 4WBB
- Type
- protein
- Length
- 606 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase type II-beta regulatory subunit; Camp-dependent protein…
- EC
- 2.7.11.11
- UniProt
- P31324, P05132
- Ligands
- ADP, CA
- Pockets
- 10 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 32% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase type II-beta regulatory subunit | protein | 269 | 28% helix, 30% strand | P31324 |
| B | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 337 | 36% helix, 15% strand | P05132 |
Ligands and binding sites
- ADP · Adenosine-5'-diphosphate · ligand · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 495 | 0.78 | 0.85 | 54 | CA, ADP |
| 2 | 274 | 0.58 | 0.78 | 29 | empty |
| 3 | 247 | 0.53 | 0.76 | 21 | empty |
| 4 | 206 | 0.52 | 0.77 | 32 | empty |
| 5 | 177 | 0.46 | 0.75 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 2016 Ų buried · 41 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (phosphorylation).
Compared structures
- 4WBB · Single Turnover Autophosphorylation Cycle of the PKA RIIb Holoenzyme · the same entry in another collection · chain A against A, TM-score 1.00
- P31324 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type II-beta… · a predicted model of the same protein · chain A against A, TM-score 0.87
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 P31324
- Every structure of UniProt P05132
- Elsewhere: RCSB PDB 4WBB · PDBe 4WBB · UniProt P31324 · UniProt P05132
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