MolNFT v1 · #2459 · protein
Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of camp- dependent protein kinase
1BX6 · Camp-dependent protein kinase: “Crystal structure of the potent natural product inhibitor balanol in complex with the catalytic subunit of…”. X-ray diffraction, 1 ligand (BA1), 5 pockets (best druggability 0.71). MolNFT v1 #2459 on…
- PDB
- 1BX6
- Type
- protein
- Length
- 339 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase
- EC
- 2.7.1.37
- UniProt
- P05132
- Ligands
- BA1
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase (EC 2.7.1.37) | protein | 339 | 37% helix, 15% strand | P05132 |
Ligands and binding sites
- BA1 · Balanol · 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 | 333 | 0.71 | 0.83 | 34 | BA1 |
| 2 | 100 | 0.45 | 0.79 | 17 | empty |
| 3 | 93 | 0.44 | 0.78 | 14 | empty |
| 4 | 70 | 0.29 | 0.74 | 18 | empty |
| 5 | 68 | 0.28 | 0.73 | 13 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1BX6 · Crystal structure of the potent natural product inhibitor balanol in complex with the… · the same entry in another collection · chain A against A, TM-score 1.00
- P05132 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase catalytic subunit… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P05132
- Elsewhere: RCSB PDB 1BX6 · PDBe 1BX6 · UniProt P05132
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.