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Crystal structure of the BCL6 btb domain in complex with the NCOR1 bbd corepressor peptide

Analyse Crystal structure of the BCL6 btb domain in complex with the NCOR1 bbd… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XYX
Type
protein
Length
270 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
B-cell lymphoma 6 protein; Nuclear receptor corepressor 1
UniProt
P41182, O75376
Ligands
NA
Pockets
1 · best druggability 0.32

Structure

x-ray diffraction · 4 distinct chains · 44% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AB-cell lymphoma 6 proteinprotein12050% helix, 18% strandP41182
BB-cell lymphoma 6 proteinprotein11949% helix, 18% strandP41182
DNuclear receptor corepressor 1protein150% helix, 27% strandO75376
CNuclear receptor corepressor 1protein160% helix, 31% strandO75376

Ligands and binding sites

  • NA · Sodium ion · metal · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · chains A, 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
1650.320.7518empty

Interfaces

5 interfaces between chains.

  • A–B · 1753 Ų buried · 27 hydrogen bonds · protein-protein
  • A–C · 819 Ų buried · 18 hydrogen bonds · protein-protein
  • B–D · 787 Ų buried · 15 hydrogen bonds · protein-protein
  • B–C · 411 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 407 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6XYX · Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD corepressor peptide · the same entry in another collection · chain C against C, 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 B against A, TM-score 0.31
  • O75376 · AlphaFold monomer V2.0 prediction for nuclear receptor corepressor 1 (O75376) · a predicted model of the same protein · chain D against A, TM-score 0.25

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