Research workbench
Crystal Structure of monoclonal S9.6 Fab
Analyse Crystal Structure of monoclonal S9.6 Fab in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7TQA
- Type
- protein
- Length
- 1,298 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.328
- Source
- synthetic construct
- Molecule
- Fab S9.6 heavy chain; Fab S9.6 light chain
- Ligands
- SO4
- Pockets
- 16 · best druggability 0.74
Structure
x-ray diffraction · resolution 2.328 · 5 distinct chains · 6% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | Fab S9.6 heavy chain | protein | 210 | 6% helix, 51% strand | — |
| L | Fab S9.6 light chain | protein | 216 | 6% helix, 51% strand | — |
| C | Fab S9.6 heavy chain | protein | 218 | 7% helix, 53% strand | — |
| D, B | Fab S9.6 light chain | protein | 219 | 5% helix, 52% strand | — |
| A | Fab S9.6 heavy chain | protein | 216 | 6% helix, 51% strand | — |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1073 | 0.74 | 0.77 | 85 | SO4 |
| 2 | 538 | 0.61 | 0.74 | 66 | empty |
| 3 | 524 | 0.60 | 0.74 | 56 | empty |
| 4 | 414 | 0.58 | 0.74 | 52 | empty |
| 5 | 259 | 0.49 | 0.74 | 40 | empty |
Interfaces
7 interfaces between chains.
- C–D · 1912 Ų buried · 22 hydrogen bonds · protein-protein
- A–B · 1856 Ų buried · 14 hydrogen bonds · protein-protein
- H–L · 1817 Ų buried · 16 hydrogen bonds · protein-protein
- H–D · 459 Ų buried · 4 hydrogen bonds · protein-protein
- L–B · 197 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 11 disulfide (disulfide).
Compared structures
- 7TQA · Crystal structure of monoclonal S9.6 Fab · 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 7TQA · PDBe 7TQA
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