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PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar carcinoma

Analyse PKA RIIbeta holoenzyme with DnaJB1-PKAc fusion in fibrolamellar hepatoceullar… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6WJF
Type
protein
Length
1,172 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
7.5
Source
Homo sapiens; Rattus norvegicus
Molecule
DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha…
EC
2.7.11.11
UniProt
P25685, P17612, P12369
Pockets
20 · best druggability 0.88

Structure

electron microscopy · resolution 7.5 · 4 distinct chains · 30% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha fusion (EC 2.7.11.11)protein40536% helix, 10% strandP25685, P17612
BDnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha fusion (EC 2.7.11.11)protein31027% helix, 13% strandP25685, P17612
CcAMP-dependent protein kinase type II-beta regulatory subunitprotein29524% helix, 15% strandP12369
DcAMP-dependent protein kinase type II-beta regulatory subunitprotein16228% helix, 22% strandP12369

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111180.880.88143empty
26780.870.9194empty
310100.860.87104empty
46880.850.8876empty
54340.850.9264empty

Interfaces

6 interfaces between chains.

  • A–C · 1748 Ų buried · 10 hydrogen bonds · protein-protein
  • B–D · 1272 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 647 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 604 Ų buried · 9 hydrogen bonds · protein-protein
  • C–D · 517 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6WJF · PKA riibeta holoenzyme with DNAJB1-pkac fusion in fibrolamellar hepatoceullar carcinoma · 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 B against A, TM-score 0.90
  • P12369 · AlphaFold monomer V2.0 prediction for camp-dependent protein kinase type II-beta… · a predicted model of the same protein · chain D against A, TM-score 0.88
  • 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 0.22

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