MolNFT v1 · #111670 · protein
Camp-dependent protein kinase PKA catalytic subunit with pki-5-24
4YXS · Camp-dependent protein kinase catalytic subunit alpha: “Camp-dependent protein kinase PKA catalytic subunit with pki-5-24”. X-ray diffraction, 1 ligand (EMU), 6 pockets (best druggability 0.79). MolNFT v1 #111670 on GenesisL1: 3D…
- PDB
- 4YXS
- Type
- protein
- Length
- 357 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
- P00517, P61926
- Ligands
- EMU
- Pockets
- 6 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 337 | 37% helix, 16% strand | P00517 |
| I | Camp-dependent protein kinase inhibitor alpha | protein | 20 | 30% helix, 10% strand | P61926 |
Ligands and binding sites
- EMU · N-benzyl-9H-purin-6-amine · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 337 | 0.79 | 0.89 | 42 | EMU |
| 2 | 81 | 0.48 | 0.81 | 13 | empty |
| 3 | 74 | 0.39 | 0.79 | 20 | empty |
| 4 | 85 | 0.33 | 0.74 | 14 | empty |
| 5 | 55 | 0.28 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–I · 1030 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 4YXS · Camp-dependent protein kinase PKA catalytic subunit with pki-5-24 · the same entry in another collection · chain I against I, TM-score 1.00
- P61926 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase inhibitor alpha… · a predicted model of the same protein · chain I against A, TM-score 0.41
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 P61926
- Elsewhere: RCSB PDB 4YXS · PDBe 4YXS · UniProt P00517 · UniProt P61926
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.