Crystal structure of a chimeric fusion of human dnaj (HSP40) and camp- dependent protein kinase a (catalytic alpha subunit)

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 12% strand (DSSP).

Ligands and binding sites

• ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, I, B, J
• ZN · Zinc ion · metal · 15 copies · chains A, B, I, J

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

11 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Interfaces

6 interfaces between chains.

• B–J · 1111 Ų buried · 26 hydrogen bonds · protein-protein
• A–I · 1086 Ų buried · 25 hydrogen bonds · protein-protein
• A–B · 472 Ų buried · 3 hydrogen bonds · protein-protein
• B–I · 48 Ų buried · 1 hydrogen bond · protein-protein
• A–J · 34 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 modified (phosphorylation).

Compared structures

• 4WB7 · Crystal structure of a chimeric fusion of human DnaJ (Hsp40) and cAMP-dependent protein… · the same entry in another collection · chain A against A, TM-score 1.00
• P17612 · 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 0.85
• P25685 · AlphaFold monomer V2.0 prediction for dnaj homolog subfamily B member 1 (P25685) · a predicted model of the same protein · chain B against A, TM-score 0.19

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 P25685
• Every structure of UniProt P17612
• Elsewhere: RCSB PDB 4WB7 · PDBe 4WB7 · UniProt P25685 · UniProt P17612