MolNFT v1 · #18861 · protein
PKA double mutant model of pkb in complex with mgatp
1Q24 · Camp-dependent protein kinase, alpha-catalytic subunit: “PKA double mutant model of pkb in complex with mgatp”. X-ray diffraction, 2 ligands (ATP, MG), 7 pockets (best druggability 0.81). MolNFT v1 #18861 on GenesisL1: 3D structure…
- PDB
- 1Q24
- Type
- protein
- Length
- 357 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase, alpha-catalytic subunit; Camp-dependent protein kinase…
- EC
- 2.7.1.37
- UniProt
- P00517, P04541
- Ligands
- ATP, MG
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 37% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase, alpha-catalytic subunit (EC 2.7.1.37) | protein | 337 | 37% helix, 16% strand | P00517 |
| I | Camp-dependent protein kinase inhibitor, alpha form | protein | 20 | 30% helix, 5% strand | P04541 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 177 | 0.81 | 0.96 | 31 | MG, ATP |
| 2 | 110 | 0.47 | 0.80 | 16 | empty |
| 3 | 70 | 0.46 | 0.82 | 12 | empty |
| 4 | 61 | 0.30 | 0.74 | 15 | empty |
| 5 | 53 | 0.29 | 0.75 | 11 | empty |
Interfaces
1 interface between chains.
- A–I · 1155 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1Q24 · PKA double mutant model of PKB in complex with MgATP · the same entry in another collection · chain A against A, TM-score 1.00
- P00517 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P00517
- Every structure of UniProt P04541
- Elsewhere: RCSB PDB 1Q24 · PDBe 1Q24 · UniProt P00517 · UniProt P04541
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