MolNFT v1 · #187506 · protein
Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl) piperidine-2,6-dione
7SHH · Cereblon isoform 4: “Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl) piperidine-2,6-dione”. X-ray diffraction, 2 ligands (9FT, ZN), 3 pockets (best druggability 0.58). MolNFT v1 #187506 on GenesisL1: 3D…
- PDB
- 7SHH
- Type
- protein
- Length
- 311 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cereblon isoform 4
- UniProt
- A4TVL0
- Ligands
- 9FT, ZN
- Pockets
- 3 · best druggability 0.58
Structure
x-ray diffraction · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cereblon isoform 4 | protein | 106 | 6% helix, 51% strand | A4TVL0 |
| B | Cereblon isoform 4 | protein | 105 | 9% helix, 51% strand | A4TVL0 |
| C | Cereblon isoform 4 | protein | 100 | 6% helix, 51% strand | A4TVL0 |
Ligands and binding sites
- 9FT · (3R)-3-(4-methoxyphenyl)piperidine-2,6-dione · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 227 | 0.58 | 0.79 | 28 | empty |
| 2 | 230 | 0.54 | 0.77 | 35 | empty |
| 3 | 55 | 0.39 | 0.80 | 13 | 9FT |
Interfaces
2 interfaces between chains.
- A–B · 515 Ų buried · 3 hydrogen bonds · protein-protein
- A–C · 393 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 7SHH · Bacterial cereblon homologue in complex with (R)-3-(4-methoxyphenyl)piperidine-2,6-dione · the same entry in another collection · chain A against A, 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 A4TVL0
- Elsewhere: RCSB PDB 7SHH · PDBe 7SHH · UniProt A4TVL0
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