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Crystal structure of the BCL6 btb domain in complex with a hybrid btb- binding (hbp) peptide

Analyse Crystal structure of the BCL6 btb domain in complex with a hybrid btb- binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TCJ
Type
protein
Length
280 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
B-cell lymphoma 6 protein; Hybrid btb-binding (hbp) peptide
UniProt
P41182
Ligands
NA
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · 3 distinct chains · 51% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AB-cell lymphoma 6 proteinprotein12455% helix, 18% strandP41182
BB-cell lymphoma 6 proteinprotein12253% helix, 18% strandP41182
C, DHybrid btb-binding (hbp) peptideprotein170% helix, 29% strand—

Ligands and binding sites

  • NA · Sodium ion · metal · chains B

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
1850.360.7616empty

Interfaces

5 interfaces between chains.

  • A–B · 2003 Ų buried · 33 hydrogen bonds · protein-protein
  • A–D · 898 Ų buried · 17 hydrogen bonds · protein-protein
  • B–C · 800 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 468 Ų buried · 2 hydrogen bonds · protein-protein
  • A–C · 390 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6TCJ · Crystal structure of the BCL6 BTB domain in complex with a hybrid BTB-binding (HBP)… · the same entry in another collection · chain A against A, TM-score 1.00
  • P41182 · AlphaFold monomer V2.0 prediction for B-cell lymphoma 6 protein (P41182) · a predicted model of the same protein · chain A against A, TM-score 0.33

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