MolNFT v1 · #174289 · protein
Cereblon in complex with SALL4 and (S)-thalidomide
7BQU · Protein cereblon: “Cereblon in complex with SALL4 and (S)-thalidomide”. X-ray diffraction, 2 ligands (EF2, ZN), 2 pockets (best druggability 0.57). MolNFT v1 #174289 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7BQU
- Type
- protein
- Length
- 133 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein cereblon; Sal-like protein 4
- UniProt
- Q96SW2, Q9UJQ4
- Ligands
- EF2, ZN
- Pockets
- 2 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 12% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein cereblon | protein | 109 | 6% helix, 49% strand | Q96SW2 |
| B | Sal-like protein 4 | protein | 24 | 42% helix, 17% strand | Q9UJQ4 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.57 | 0.83 | 26 | EF2 |
| 2 | 109 | 0.41 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 425 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 7BQU · Cereblon in complex with SALL4 and (S)-thalidomide · the same entry in another collection · chain A against A, TM-score 1.00
- Q96SW2 · AlphaFold monomer V2.0 prediction for protein cereblon (Q96SW2) · a predicted model of the same protein · chain A against A, TM-score 0.96
- Q9UJQ4 · AlphaFold monomer V2.0 prediction for sal-like protein 4 (Q9UJQ4) · a predicted model of the same protein · chain B against A, TM-score 0.83
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 Q96SW2
- Every structure of UniProt Q9UJQ4
- Elsewhere: RCSB PDB 7BQU · PDBe 7BQU · UniProt Q96SW2 · UniProt Q9UJQ4
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