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Crystal structure of an NCOR1BBD2-BCL6BTB chimera in complex with NEBULINSH3-NCOR1BBD1

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

PDB
6Y17
Type
protein
Length
417 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Nuclear receptor corepressor 1,B-cell lymphoma 6 protein; NEBULIN,NUCLEAR receptor…
UniProt
O75376, P41182, H0Y786
Ligands
NA
Pockets
2 · best druggability 0.33

Structure

x-ray diffraction · 4 distinct chains · 32% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ANuclear receptor corepressor 1,B-cell lymphoma 6 proteinprotein12948% helix, 18% strandO75376, P41182
BNuclear receptor corepressor 1,B-cell lymphoma 6 proteinprotein13050% helix, 18% strandO75376, P41182
CNEBULIN,NUCLEAR receptor corepressor 1protein764% helix, 42% strandO75376, H0Y786
DNEBULIN,NUCLEAR receptor corepressor 1protein824% helix, 46% strandO75376, H0Y786

Ligands and binding sites

  • NA · Sodium ion · metal · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1550.330.7813empty
21000.330.7325empty

Interfaces

5 interfaces between chains.

  • A–B · 2287 Ų buried · 33 hydrogen bonds · protein-protein
  • A–C · 914 Ų buried · 15 hydrogen bonds · protein-protein
  • B–D · 870 Ų buried · 20 hydrogen bonds · protein-protein
  • A–D · 446 Ų buried · 4 hydrogen bonds · protein-protein
  • B–C · 398 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6Y17 · Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with nebulinSH3-NCoR1BBD1 · the same entry in another collection · chain A against A, TM-score 1.00
  • 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 0.33
  • 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 0.32

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