MolNFT v1 · #20420 · protein
Crystal structure of camp-dependent protein kinase complexed with balanol analog 2
1RE8 · Camp-dependent protein kinase, alpha-catalytic subunit: “Crystal structure of camp-dependent protein kinase complexed with balanol analog 2”. X-ray diffraction, 1 ligand (BD2), 2 pockets (best druggability 0.70). MolNFT v1 #20420 on…
- PDB
- 1RE8
- Type
- protein
- Length
- 339 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase, alpha-catalytic subunit
- EC
- 2.7.1.37
- UniProt
- P05132
- Ligands
- BD2
- Pockets
- 2 · best druggability 0.70
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp-dependent protein kinase, alpha-catalytic subunit (EC 2.7.1.37) | protein | 339 | 38% helix, 16% strand | P05132 |
Ligands and binding sites
- BD2 · 3-[(4-hydroxybenzoyl)amino]azepan-4-yl 4-(2-hydroxybenzoyl)benzoate · ligand · chains A
- OCT · N-octane · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 320 | 0.70 | 0.83 | 36 | BD2 |
| 2 | 83 | 0.46 | 0.80 | 14 | empty |
Modifications
Observed in the structure: 2 modified (phosphorylation).
Compared structures
- 1RE8 · Crystal structure of cAMP-dependent protein kinase complexed with balanol analog 2 · 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 P05132
- Elsewhere: RCSB PDB 1RE8 · PDBe 1RE8 · UniProt P05132
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.