Research workbench
PKA triple mutant model of pkb
Analyse PKA triple mutant model of pkb in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1Q61
- 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
- MG8
- Pockets
- 5 · best druggability 0.82
Structure
x-ray diffraction · 2 distinct chains · 38% 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 | 38% helix, 16% strand | P00517 |
| I | Camp-dependent protein kinase inhibitor, alpha form | protein | 20 | 35% helix, 5% strand | P04541 |
Ligands and binding sites
- MG8 · N-octanoyl-N-methylglucamine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 215 | 0.82 | 0.95 | 37 | empty |
| 2 | 84 | 0.53 | 0.84 | 12 | MG8 |
| 3 | 114 | 0.50 | 0.81 | 17 | empty |
| 4 | 75 | 0.33 | 0.74 | 16 | empty |
| 5 | 51 | 0.27 | 0.74 | 14 | empty |
Interfaces
1 interface between chains.
- A–I · 1098 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
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 1Q61 · PDBe 1Q61 · UniProt P00517 · UniProt P04541
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