MolNFT v1 · #173781 · protein
Crystal structure of the camp-dependent protein kinase a with a chiral ligand (S- and E-configuration, soaked)
7BAR · Camp-dependent protein kinase catalytic subunit alpha: “Crystal structure of the camp-dependent protein kinase a with a chiral ligand (S- and E-configuration, soaked)”. X-ray diffraction, 1 ligand (T82), 2 pockets (best druggability…
- PDB
- 7BAR
- Type
- protein
- Length
- 338 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp-dependent protein kinase catalytic subunit alpha
- EC
- 2.7.11.11
- UniProt
- P25321
- Ligands
- T82
- Pockets
- 2 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 39% 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 | 338 | 39% helix, 16% strand | P25321 |
Ligands and binding sites
- T82 · (S,E)-3-(2-(3-bromo-4-hydroxybenzylidene)hydrazineyl)-2-(3-chlorophenyl)-3-oxopropan-1-aminium · ligand · 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 | 321 | 0.69 | 0.83 | 37 | T82 |
| 2 | 81 | 0.44 | 0.80 | 12 | empty |
Modifications
Observed in the structure: 3 modified (phosphorylation).
Compared structures
- 7BAR · Crystal structure of the cAMP-dependent protein kinase A with a chiral ligand (S- and… · 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 P25321
- Elsewhere: RCSB PDB 7BAR · PDBe 7BAR · UniProt P25321
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