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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).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein cereblonprotein1096% helix, 49% strandQ96SW2
BSal-like protein 4protein2438% helix, 17% strandQ9UJQ4

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1970.540.8419F4U
2920.420.7915empty

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

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