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Crystal structure of the essential repressor ddro from radiation- resistant deinococcus bacteria (deinococcus deserti)

Analyse Crystal structure of the essential repressor ddro from radiation- resistant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6RNX
Type
protein
Length
250 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Hth-type transcriptional regulator ddroc
UniProt
C1CYP4
Ligands
CL
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AHth-type transcriptional regulator ddrocprotein12560% helix, 2% strandC1CYP4
BHth-type transcriptional regulator ddrocprotein12555% helix, 2% strandC1CYP4

Ligands and binding sites

  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1560.330.7715empty

Interfaces

1 interface between chains.

  • A–B · 1781 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 6RNX · Crystal structure of the essential repressor DdrO from radiation-resistant Deinococcus… · the same entry in another collection · chain A against A, TM-score 1.00
  • C1CYP4 · AlphaFold monomer V2.0 prediction for hth-type transcriptional regulator ddroc (C1CYP4) · a predicted model of the same protein · chain B against A, TM-score 0.63

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