Research workbench
Crystal structure of Fab ADI-14442
Analyse Crystal structure of Fab ADI-14442 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7LUD
- Type
- protein
- Length
- 881 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.9
- Source
- Homo sapiens
- Molecule
- ADI-14442 Fab Heavy chain; ADI-14442 Fab Light chain
- Ligands
- SO4
- Pockets
- 7 · best druggability 0.79
Structure
x-ray diffraction · resolution 2.9 · 3 distinct chains · 7% helix, 51% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H, A | ADI-14442 Fab Heavy chain | protein | 223 | 7% helix, 52% strand | — |
| L | ADI-14442 Fab Light chain | protein | 219 | 7% helix, 52% strand | — |
| B | ADI-14442 Fab Light chain | protein | 216 | 7% helix, 50% strand | — |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains L, A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 913 | 0.79 | 0.82 | 84 | empty |
| 2 | 1114 | 0.70 | 0.74 | 111 | empty |
| 3 | 235 | 0.68 | 0.85 | 40 | empty |
| 4 | 434 | 0.62 | 0.77 | 56 | empty |
| 5 | 325 | 0.53 | 0.74 | 34 | empty |
Interfaces
6 interfaces between chains.
- H–L · 1933 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1933 Ų buried · 15 hydrogen bonds · protein-protein
- H–A · 619 Ų buried · 4 hydrogen bonds · protein-protein
- L–A · 564 Ų buried · 7 hydrogen bonds · protein-protein
- H–B · 69 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 7LUD · Crystal structure of Fab adi-14442 · 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 7LUD · PDBe 7LUD
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