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Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma cruzi bound to guanosine

Analyse Regulatory subunit of a cAMP-independent protein kinase A from Trypanosoma… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6HYQ
Type
protein
Length
1,124 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.08
Source
Trypanosoma cruzi
Molecule
Protein kinase A regulatory subunit
UniProt
Q86RB0
Ligands
GMP
Pockets
20 · best druggability 0.80

Structure

x-ray diffraction · resolution 2.08 · 4 distinct chains · 34% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein kinase A regulatory subunitprotein28035% helix, 29% strandQ86RB0
BProtein kinase A regulatory subunitprotein28234% helix, 30% strandQ86RB0
CProtein kinase A regulatory subunitprotein28333% helix, 30% strandQ86RB0
DProtein kinase A regulatory subunitprotein27934% helix, 29% strandQ86RB0

Ligands and binding sites

  • GMP · Guanosine · ligand · 8 copies · chains A, B, C, D
  • ACT · Acetate ion · additive · chains B

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

Pockets

20 pockets found on a 1 Å grid, 13 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18770.800.8273empty
2830.770.9821GMP
3910.770.9719GMP
4930.760.9719GMP
5810.760.9819GMP

Interfaces

4 interfaces between chains.

  • C–D · 739 Ų buried · 9 hydrogen bonds · protein-protein
  • A–B · 673 Ų buried · 9 hydrogen bonds · protein-protein
  • B–D · 196 Ų buried · 0 hydrogen bonds · protein-protein
  • B–C · 135 Ų buried · 1 hydrogen bond · protein-protein

Compared structures

  • 6HYQ · Regulatory subunit of a camp-independent protein kinase a from trypanosoma cruzi bound to… · the same entry in another collection · chain A against A, TM-score 1.00

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