Research workbench
Crystal structure of monoclonal Fab F22-4 specific for shigella flexneri 2A O-ag
Analyse Crystal structure of monoclonal Fab F22-4 specific for shigella flexneri 2A O-ag in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3C5S
- Type
- protein
- Length
- 841 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Fab F22-4 light chain; Fab F22-4 heavy chain
- Pockets
- 7 · best druggability 0.59
Structure
x-ray diffraction · 4 distinct chains · 7% helix, 52% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Fab F22-4 light chain | protein | 218 | 6% helix, 51% strand | — |
| B | Fab F22-4 heavy chain | protein | 198 | 8% helix, 56% strand | — |
| C | Fab F22-4 light chain | protein | 217 | 6% helix, 48% strand | — |
| D | Fab F22-4 heavy chain | protein | 208 | 9% helix, 54% strand | — |
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 526 | 0.59 | 0.74 | 56 | empty |
| 2 | 437 | 0.59 | 0.74 | 42 | empty |
| 3 | 354 | 0.56 | 0.75 | 60 | empty |
| 4 | 343 | 0.56 | 0.75 | 42 | empty |
| 5 | 73 | 0.29 | 0.73 | 17 | empty |
Interfaces
4 interfaces between chains.
- A–B · 1686 Ų buried · 16 hydrogen bonds · protein-protein
- C–D · 1632 Ų buried · 13 hydrogen bonds · protein-protein
- B–C · 414 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 189 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 disulfide (disulfide).
Compared structures
- 3C5S · Crystal Structure of monoclonal Fab F22-4 specific for Shigella flexneri 2a O-Ag · 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 3C5S · PDBe 3C5S
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