MolNFT v1 · #88251 · protein
The structure of BCL6 btb (poz) domain in complex with the ansamycin antibiotic rifabutin.
4CP3 · B-cell lymphoma 6 protein: “The structure of BCL6 btb (poz) domain in complex with the ansamycin antibiotic rifabutin.”. X-ray diffraction, 1 ligand (RBT), 2 pockets (best druggability 0.46). MolNFT v1 #88251 on GenesisL1: 3D…
- PDB
- 4CP3
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- B-cell lymphoma 6 protein
- UniProt
- P41182
- Ligands
- RBT
- Pockets
- 2 · best druggability 0.46
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | B-cell lymphoma 6 protein | protein | 122 | 54% helix, 15% strand | P41182 |
| B | B-cell lymphoma 6 protein | protein | 122 | 52% helix, 15% strand | P41182 |
Ligands and binding sites
- RBT · Rifabutin · ligand · chains A, B
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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 150 | 0.46 | 0.76 | 24 | empty |
| 2 | 146 | 0.45 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1755 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 4CP3 · The structure of BCL6 BTB (POZ) domain in complex with the ansamycin antibiotic rifabutin. · 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 B against A, TM-score 0.34
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 P41182
- Elsewhere: RCSB PDB 4CP3 · PDBe 4CP3 · UniProt P41182
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