MolNFT v1 · #80131 · protein
Structure and allostery of the PKA riib tetrameric holoenzyme
3TNP · Camp-dependent protein kinase catalytic subunit alpha: “Structure and allostery of the PKA riib tetrameric holoenzyme”. X-ray diffraction, 20 pockets (best druggability 0.78). MolNFT v1 #80131 on GenesisL1: 3D structure, binding…
- PDB
- 3TNP
- Type
- protein
- Length
- 1,214 residues
- Chains
- 4
- 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, P31324
- Pockets
- 20 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 23% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| C, F | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 337 | 36% helix, 16% strand | P05132 |
| B, E | Camp-dependent protein kinase type II-beta regulatory subunit | protein | 270 | 29% helix, 32% strand | P31324 |
Pockets
20 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 408 | 0.78 | 0.87 | 53 | empty |
| 2 | 256 | 0.77 | 0.90 | 37 | empty |
| 3 | 340 | 0.63 | 0.79 | 41 | empty |
| 4 | 277 | 0.58 | 0.78 | 25 | empty |
| 5 | 285 | 0.57 | 0.77 | 36 | empty |
Interfaces
5 interfaces between chains.
- C–B · 2026 Ų buried · 41 hydrogen bonds · protein-protein
- F–E · 2025 Ų buried · 41 hydrogen bonds · protein-protein
- B–E · 358 Ų buried · 2 hydrogen bonds · protein-protein
- B–F · 352 Ų buried · 3 hydrogen bonds · protein-protein
- C–E · 348 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (phosphorylation).
Compared structures
- 3TNP · Structure and Allostery of the PKA RIIb Tetrameric Holoenzyme · the same entry in another collection · chain C against C, 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 B 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 P05132
- Every structure of UniProt P31324
- Elsewhere: RCSB PDB 3TNP · PDBe 3TNP · UniProt P05132 · UniProt P31324
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