MolNFT v1 · #173381 · protein
Crystal structure of the camp-dependent protein kinase a cocrystallized with isoquinoline-5-carboxylic acid and pki (5-24)
7AXT · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the camp-dependent protein kinase a cocrystallized with isoquinoline-5-carboxylic acid…”. X-ray diffraction, 1 ligand (S9B), 4 pockets (best druggability…
- PDB
- 7AXT
- Type
- protein
- Length
- 362 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…
- EC
- 2.7.11.11
- UniProt
- P25321, P63248
- Ligands
- S9B
- Pockets
- 4 · best druggability 0.65
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 344 | 41% helix, 14% strand | P25321 |
| B | Camp-dependent protein kinase inhibitor alpha | protein | 18 | 44% helix, 0% strand | P63248 |
Ligands and binding sites
- S9B · isoquinoline-5-carboxylic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 443 | 0.65 | 0.78 | 42 | S9B |
| 2 | 163 | 0.57 | 0.81 | 26 | empty |
| 3 | 91 | 0.33 | 0.73 | 17 | empty |
| 4 | 71 | 0.31 | 0.74 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 811 Ų buried · 17 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 7AXT · Crystal structure of the cAMP-dependent protein kinase A cocrystallized with… · the same entry in another collection · chain A against A, TM-score 1.00
- P63248 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase inhibitor alpha… · a predicted model of the same protein · chain B against A, TM-score 0.46
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 P25321
- Every structure of UniProt P63248
- Elsewhere: RCSB PDB 7AXT · PDBe 7AXT · UniProt P25321 · UniProt P63248
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