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The X-ray crystal structure of Agrobacterium tumefaciens Dps, a member of the family that protect DNA without binding

Analyse The X-ray crystal structure of Agrobacterium tumefaciens Dps, a member of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1O9R
Type
protein
Length
967 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.45
Source
AGROBACTERIUM TUMEFACIENS
Molecule
Agrobacterium tumefaciens dps
UniProt
Q8UCK6
Ligands
FE
Pockets
8 · best druggability 0.66

Structure

x-ray diffraction · resolution 1.45 · 3 distinct chains · 73% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, E, FAgrobacterium tumefaciens dpsprotein16272% helix, 1% strandQ8UCK6
CAgrobacterium tumefaciens dpsprotein15974% helix, 1% strandQ8UCK6
DAgrobacterium tumefaciens dpsprotein16073% helix, 1% strandQ8UCK6

Ligands and binding sites

  • FE · Fe (III) ion · metal · 6 copies · chains A, B, C, D, E, F
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 2 copies · chains B, D, A, C, E
  • EDO · 1,2-ethanediol · additive · chains D

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12720.660.8323empty
21430.650.8733empty
3560.540.8919empty
41880.520.7832empty
5910.390.7721empty

Interfaces

10 interfaces between chains.

  • A–B · 1551 Ų buried · 20 hydrogen bonds · protein-protein
  • E–F · 1532 Ų buried · 23 hydrogen bonds · protein-protein
  • B–D · 825 Ų buried · 17 hydrogen bonds · protein-protein
  • C–E · 821 Ų buried · 18 hydrogen bonds · protein-protein
  • A–E · 806 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 1O9R · The X-ray crystal structure of agrobacterium tumefaciens dps, a member of the family that… · the same entry in another collection · chain F against F, TM-score 1.00
  • Q8UCK6 · AlphaFold monomer V2.0 prediction for DNA protection during starvation protein (Q8UCK6) · a predicted model of the same protein · chain C against A, TM-score 0.99

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