Research workbench
Cereblon isoform 4 from magnetospirillum gryphiswaldense in complex with hydrolysis product of compound 4B
Analyse Cereblon isoform 4 from magnetospirillum gryphiswaldense in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6R0V
- Type
- protein
- Length
- 318 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cereblon isoform 4
- UniProt
- A4TVL0
- Ligands
- JO2, ZN, PO4, CL
- Pockets
- 4 · best druggability 0.44
Structure
x-ray diffraction · 3 distinct chains · 8% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cereblon isoform 4 | protein | 110 | 8% helix, 47% strand | A4TVL0 |
| B | Cereblon isoform 4 | protein | 105 | 9% helix, 51% strand | A4TVL0 |
| C | Cereblon isoform 4 | protein | 103 | 6% helix, 50% strand | A4TVL0 |
Ligands and binding sites
- JO2 · 2-[[(3~{S})-2,5-bis(oxidanylidene)pyrrolidin-3-yl]carbamoyl]-4-nitro-benzoic acid · ligand · 3 copies · chains A, B, C
- ZN · Zinc ion · metal · 3 copies · chains A, B, C
- PO4 · Phosphate ion · ion · 5 copies · chains A, B, C
- CL · Chloride ion · ion · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 124 | 0.44 | 0.77 | 24 | PO4 |
| 2 | 141 | 0.42 | 0.75 | 18 | empty |
| 3 | 154 | 0.42 | 0.74 | 21 | PO4 |
| 4 | 60 | 0.38 | 0.80 | 21 | empty |
Interfaces
3 interfaces between chains.
- A–B · 631 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 601 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 25 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6R0V · Cereblon isoform 4 from Magnetospirillum gryphiswaldense in complex with hydrolysis… · 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 6R0V · PDBe 6R0V · UniProt A4TVL0
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