MolNFT v1 · #171641 · protein
Crystal structure of an NCOR1BBD2-BCL6BTB chimera in complex with the NCOR1 BBD1 corepressor peptide
6ZBU · Nuclear receptor corepressor 1,B-cell lymphoma 6 protein: “Crystal structure of an NCOR1BBD2-BCL6BTB chimera in complex with the NCOR1 BBD1 corepressor peptide”. X-ray diffraction, 1 ligand (SO4), 11 pockets (best druggability…
- 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).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nuclear receptor corepressor 1,B-cell lymphoma 6 protein | protein | 133 | 51% helix, 17% strand | O75376, P41182 |
| B | Nuclear receptor corepressor 1,B-cell lymphoma 6 protein | protein | 134 | 49% helix, 19% strand | O75376, P41182 |
| C, G, K | Nuclear receptor corepressor 1 | protein | 15 | 0% helix, 27% strand | O75376 |
| D, L, H | Nuclear receptor corepressor 1 | protein | 16 | 0% helix, 25% strand | O75376 |
| E, I | Nuclear receptor corepressor 1,B-cell lymphoma 6 protein | protein | 130 | 48% helix, 18% strand | O75376, P41182 |
| F | Nuclear receptor corepressor 1,B-cell lymphoma 6 protein | protein | 131 | 50% helix, 19% strand | O75376, P41182 |
| J | Nuclear receptor corepressor 1,B-cell lymphoma 6 protein | protein | 132 | 46% helix, 17% strand | O75376, 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1101 | 0.73 | 0.77 | 74 | SO4 |
| 2 | 130 | 0.48 | 0.78 | 16 | empty |
| 3 | 80 | 0.39 | 0.78 | 15 | empty |
| 4 | 101 | 0.39 | 0.76 | 17 | empty |
| 5 | 68 | 0.39 | 0.78 | 17 | empty |
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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O75376
- Every structure of UniProt P41182
- Elsewhere: RCSB PDB 6ZBU · PDBe 6ZBU · UniProt O75376 · UniProt P41182
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