MolNFT v1 · #173789 · protein
Crystal structure of the camp-dependent protein kinase a cocrystallized with NAT22-366511 and pki (5-24)
7BB0 · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the camp-dependent protein kinase a cocrystallized with NAT22-366511 and pki (5-24)”. X-ray diffraction, 1 ligand (T7W), 4 pockets (best druggability…
- PDB
- 7BB0
- Type
- protein
- Length
- 367 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
- T7W
- Pockets
- 4 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 349 | 41% helix, 15% strand | P25321 |
| B | Camp-dependent protein kinase inhibitor alpha | protein | 18 | 39% helix, 0% strand | P63248 |
Ligands and binding sites
- T7W · (R)-3,3-dimethyl-5-oxo-5-(6-(3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl)pentanoic acid · ligand · chains A, B
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 | 697 | 0.76 | 0.81 | 50 | T7W |
| 2 | 241 | 0.58 | 0.79 | 34 | empty |
| 3 | 63 | 0.30 | 0.75 | 18 | empty |
| 4 | 64 | 0.27 | 0.73 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 760 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 7BB0 · Crystal structure of the cAMP-dependent protein kinase A cocrystallized with NAT22-366511… · 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 7BB0 · PDBe 7BB0 · UniProt P25321 · UniProt P63248
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.