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Crystal structure of an NCOR1BBD2-BCL6BTB chimera in complex with the NCOR1 BBD1 corepressor peptide

Analyse Crystal structure of an NCOR1BBD2-BCL6BTB chimera in complex with the NCOR1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZBU
Type
protein
Length
883 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear receptor corepressor 1,B-cell lymphoma 6 protein; Nuclear receptor corepressor 1
UniProt
O75376, P41182
Ligands
SO4
Pockets
11 · best druggability 0.73

Structure

x-ray diffraction · 7 distinct chains · 47% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear receptor corepressor 1,B-cell lymphoma 6 proteinprotein13351% helix, 17% strandO75376, P41182
BNuclear receptor corepressor 1,B-cell lymphoma 6 proteinprotein13449% helix, 19% strandO75376, P41182
C, G, KNuclear receptor corepressor 1protein150% helix, 27% strandO75376
D, L, HNuclear receptor corepressor 1protein160% helix, 25% strandO75376
E, INuclear receptor corepressor 1,B-cell lymphoma 6 proteinprotein13048% helix, 18% strandO75376, P41182
FNuclear receptor corepressor 1,B-cell lymphoma 6 proteinprotein13150% helix, 19% strandO75376, P41182
JNuclear receptor corepressor 1,B-cell lymphoma 6 proteinprotein13246% helix, 17% strandO75376, P41182

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 28 copies · chains A, B, C, D, E, H, F, I, G, L, J, K
  • GOL · Glycerol · additive · 4 copies · chains A, B, C, D, I

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111010.730.7774SO4
21300.480.7816empty
3800.390.7815empty
41010.390.7617empty
5680.390.7817empty

Interfaces

23 interfaces between chains.

  • A–B · 2460 Ų buried · 32 hydrogen bonds · protein-protein
  • I–J · 2338 Ų buried · 36 hydrogen bonds · protein-protein
  • E–F · 2337 Ų buried · 30 hydrogen bonds · protein-protein
  • A–D · 871 Ų buried · 15 hydrogen bonds · protein-protein
  • E–H · 868 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 6ZBU · Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with the NcoR1 BBD1… · the same entry in another collection · chain D against D, TM-score 1.00

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