MolNFT v1 · #86131 · protein
Structure of PKA-pkb chimera complexed with (1S)-2-amino-1-( 4-chlorophenyl)-1-(4-(1H-pyrazol-4-YL)PHENYL)ETHAN-1-ol
4AXA · Camp-dependent protein kinase catalytic subunit alpha: “Structure of PKA-pkb chimera complexed with (1S)-2-amino-1-(…”. X-ray diffraction, 1 ligand (RKD), 5 pockets (best druggability 0.80). MolNFT v1 #86131 on GenesisL1: 3D…
- PDB
- 4AXA
- 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, P61925
- Ligands
- RKD
- Pockets
- 5 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 36% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase catalytic subunit alpha (EC 2.7.11.11) | protein | 337 | 36% helix, 16% strand | P00517 |
| I | Camp-dependent protein kinase inhibitor alpha | protein | 20 | 35% helix, 5% strand | P61925 |
Ligands and binding sites
- RKD · (2S)-2-(4-chlorophenyl)-2-hydroxy-2-[4-(1H-pyrazol-4-yl)phenyl]ethanaminium · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 342 | 0.80 | 0.90 | 43 | RKD |
| 2 | 68 | 0.39 | 0.78 | 12 | empty |
| 3 | 74 | 0.36 | 0.78 | 19 | empty |
| 4 | 80 | 0.31 | 0.73 | 16 | empty |
| 5 | 56 | 0.30 | 0.75 | 13 | empty |
Interfaces
1 interface between chains.
- A–I · 1065 Ų buried · 22 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 4AXA · Structure of PKA-PKB chimera complexed with (1S)-2-amino-1-(4… · the same entry in another collection · chain A against A, TM-score 1.00
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 P61925
- Elsewhere: RCSB PDB 4AXA · PDBe 4AXA · UniProt P00517 · UniProt P61925
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.