MolNFT v1 · #174290 · protein
Cereblon in complex with SALL4 and (S)-5-hydroxythalidomide
7BQV · Protein cereblon: “Cereblon in complex with SALL4 and (S)-5-hydroxythalidomide”. X-ray diffraction, 3 ligands (F4U, ZN, SO4), 2 pockets (best druggability 0.54). MolNFT v1 #174290 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7BQV
- 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
- F4U, ZN, SO4
- Pockets
- 2 · best druggability 0.54
Structure
x-ray diffraction · 2 distinct chains · 11% 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 | 38% helix, 17% strand | Q9UJQ4 |
Ligands and binding sites
- F4U · 2-[(3~{S})-2,6-bis(oxidanylidene)piperidin-3-yl]-5-oxidanyl-isoindole-1,3-dione · ligand · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 2 copies · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.54 | 0.84 | 19 | F4U |
| 2 | 92 | 0.42 | 0.79 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 521 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 7BQV · Cereblon in complex with SALL4 and (S)-5-hydroxythalidomide · 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 0.79
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 7BQV · PDBe 7BQV · UniProt Q96SW2 · UniProt Q9UJQ4
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