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Structure of DNA polymerase III subunit beta from Rickettsia conorii in complex with a natural product

Analyse Structure of DNA polymerase III subunit beta from Rickettsia conorii in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DM6
Type
protein
Length
775 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.25
Source
Rickettsia conorii (strain ATCC VR-613 / Malish 7); SYNTHETIC CONSTRUCT
Molecule
Beta sliding clamp; Natural product peptide
UniProt
Q92I37
Pockets
4 · best druggability 0.41

Structure

x-ray diffraction · resolution 2.25 · 3 distinct chains · 22% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta sliding clampprotein37823% helix, 43% strandQ92I37
BBeta sliding clampprotein37721% helix, 42% strandQ92I37
C, DNatural product peptideprotein100% helix, 0% strand—

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1880.410.7816empty
2820.410.7916empty
3560.300.7515empty
4530.280.7514empty

Interfaces

3 interfaces between chains.

  • A–B · 1195 Ų buried · 23 hydrogen bonds · protein-protein
  • B–D · 517 Ų buried · 1 hydrogen bond · protein-protein
  • A–C · 513 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 12 modified (nonstandard, methylation).

Compared structures

  • 6DM6 · Structure of DNA polymerase III subunit beta from rickettsia conorii in complex with a… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q92I37 · AlphaFold monomer V2.0 prediction for beta sliding clamp (Q92I37) · a predicted model of the same protein · chain B against A, TM-score 0.98

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