Research workbench
Ticagrelor antidote candidate Fab 72 in complex with ticagrelor
Analyse Ticagrelor antidote candidate Fab 72 in complex with ticagrelor in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5ALC
- Type
- protein
- Length
- 426 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.7
- Source
- HOMO SAPIENS
- Molecule
- Anti-ticagrelor Fab 72, heavy chain; Anti-ticagrelor Fab 72, light chain
- Ligands
- TIQ
- Pockets
- 6 · best druggability 0.65
Structure
x-ray diffraction · resolution 1.7 · 2 distinct chains · 9% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Anti-ticagrelor Fab 72, heavy chain | protein | 216 | 9% helix, 50% strand | — |
| L | Anti-ticagrelor Fab 72, light chain | protein | 210 | 9% helix, 50% strand | — |
Ligands and binding sites
- TIQ · Ticagrelor · ligand · chains H, L
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 131 | 0.65 | 0.88 | 30 | TIQ |
| 2 | 478 | 0.57 | 0.73 | 50 | empty |
| 3 | 98 | 0.44 | 0.79 | 22 | empty |
| 4 | 88 | 0.34 | 0.74 | 19 | empty |
| 5 | 51 | 0.32 | 0.78 | 14 | empty |
Interfaces
1 interface between chains.
- H–L · 1725 Ų buried · 13 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 5ALC · Ticagrelor antidote candidate Fab 72 in complex with ticagrelor · the same entry in another collection · chain H against H, 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 5ALC · PDBe 5ALC
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