Research workbench
Fab CJ11 in complex il-1BETA peptide liberated by caspase cleavage
Analyse Fab CJ11 in complex il-1BETA peptide liberated by caspase cleavage in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7JWQ
- Type
- protein
- Length
- 865 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab CJ11 heavy chain; Fab CJ11 light chain; Il-1BETA peptide
- Pockets
- 9 · best druggability 0.67
Structure
x-ray diffraction · 5 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab CJ11 heavy chain | protein | 210 | 4% helix, 52% strand | — |
| B | Fab CJ11 light chain | protein | 216 | 8% helix, 52% strand | — |
| C | Fab CJ11 heavy chain | protein | 212 | 4% helix, 51% strand | — |
| D | Fab CJ11 light chain | protein | 215 | 8% helix, 53% strand | — |
| V, P | Il-1BETA peptide | protein | 6 | 0% helix, 0% strand | — |
Pockets
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 705 | 0.67 | 0.76 | 66 | empty |
| 2 | 627 | 0.66 | 0.76 | 55 | empty |
| 3 | 212 | 0.51 | 0.77 | 33 | empty |
| 4 | 113 | 0.39 | 0.75 | 28 | empty |
| 5 | 113 | 0.39 | 0.75 | 17 | empty |
Interfaces
7 interfaces between chains.
- A–B · 1851 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1841 Ų buried · 24 hydrogen bonds · protein-protein
- C–P · 348 Ų buried · 10 hydrogen bonds · protein-protein
- A–V · 348 Ų buried · 10 hydrogen bonds · protein-protein
- D–P · 245 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7JWQ · Fab CJ11 in complex IL-1beta peptide liberated by Caspase cleavage · 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
- Elsewhere: RCSB PDB 7JWQ · PDBe 7JWQ
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