Research workbench
Fab CJ11 in complex il-18 peptide liberated by caspase cleavage
Analyse Fab CJ11 in complex il-18 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
- 7JWP
- Type
- protein
- Length
- 3,437 residues
- Chains
- 24
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab CJ11 heavy chain; Fab CJ11 light chain; Il-18 peptide
- Pockets
- 20 · best druggability 0.75
Structure
x-ray diffraction · 8 distinct chains · 7% helix, 53% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, I, M | Fab CJ11 heavy chain | protein | 208 | 4% helix, 53% strand | — |
| B, D, F, H | Fab CJ11 light chain | protein | 216 | 8% helix, 53% strand | — |
| E, G, K, O | Fab CJ11 heavy chain | protein | 209 | 4% helix, 54% strand | — |
| J | Fab CJ11 light chain | protein | 215 | 8% helix, 53% strand | — |
| L, N | Fab CJ11 light chain | protein | 214 | 8% helix, 54% strand | — |
| P | Fab CJ11 light chain | protein | 215 | 8% helix, 53% strand | — |
| Q, R, S, T, U, V, X | Il-18 peptide | protein | 6 | 0% helix, 0% strand | — |
| W | Il-18 peptide | protein | 5 | 0% helix, 0% strand | — |
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 945 | 0.75 | 0.78 | 93 | empty |
| 2 | 893 | 0.74 | 0.78 | 111 | empty |
| 3 | 755 | 0.72 | 0.78 | 76 | empty |
| 4 | 918 | 0.72 | 0.76 | 97 | empty |
| 5 | 473 | 0.68 | 0.80 | 59 | empty |
Interfaces
53 interfaces between chains.
- G–H · 1890 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1890 Ų buried · 19 hydrogen bonds · protein-protein
- A–B · 1888 Ų buried · 20 hydrogen bonds · protein-protein
- C–D · 1884 Ų buried · 18 hydrogen bonds · protein-protein
- K–L · 1862 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 32 disulfide (disulfide).
Compared structures
- 7JWP · Fab CJ11 in complex IL-18 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 7JWP · PDBe 7JWP
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