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Structure of the rbpj-sharp-DNA repressor complex

Analyse Structure of the rbpj-sharp-DNA repressor complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DKS
Type
protein + DNA
Length
1,711 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
DNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)- 3'); DNA…
UniProt
P31266, P0AEY0
Ligands
GLC
Pockets
20 · best druggability 0.75

Structure

x-ray diffraction · 6 distinct chains · 24% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, EDNA (5'-D(*AP*AP*TP*CP*TP*TP*TP*CP*CP*CP*AP*CP*AP*GP*T)- 3')dna15——
B, FDNA (5'-D(*TP*TP*AP*CP*TP*GP*TP*GP*GP*GP*AP*AP*AP*GP*A)- 3')dna15——
CRecombining binding protein suppressor of hairlessprotein4177% helix, 45% strandP31266
DMALTOSE/MALTODEXTRIN-binding periplasmic proteinprotein40741% helix, 24% strandP0AEY0
GRecombining binding protein suppressor of hairlessprotein4228% helix, 45% strandP31266
HMALTOSE/MALTODEXTRIN-binding periplasmic proteinprotein40541% helix, 24% strandP0AEY0

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · 4 copies · chains D, H

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

Pockets

20 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18080.750.8081empty
28630.750.7986empty
32490.720.8630GLC
43170.700.8432GLC
5620.610.9122empty

Interfaces

10 interfaces between chains.

  • G–H · 1691 Ų buried · 34 hydrogen bonds · protein-protein
  • C–D · 1673 Ų buried · 29 hydrogen bonds · protein-protein
  • E–F · 603 Ų buried · 63 hydrogen bonds · nucleic-nucleic
  • A–B · 602 Ų buried · 62 hydrogen bonds · nucleic-nucleic
  • A–C · 448 Ų buried · 5 hydrogen bonds · protein-nucleic

Compared structures

  • 6DKS · Structure of the Rbpj-SHARP-DNA Repressor Complex · the same entry in another collection · chain H against H, TM-score 1.00
  • P31266 · AlphaFold monomer V2.0 prediction for recombining binding protein suppressor of hairless… · a predicted model of the same protein · chain C against A, TM-score 0.96

Analyse

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