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Crystal structure of moderately neutralizing / interfering human monoclonal antibody 42C11 Fab in complex with MSP1-19
Analyse Crystal structure of moderately neutralizing / interfering human monoclonal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8DFI
- Type
- protein
- Length
- 515 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Homo sapiens; Plasmodium falciparum 3D7
- Molecule
- Merozoite surface protein 1; 42C11 Fab Heavy Chain; 42C11 Fab Light Chain
- UniProt
- Q8I0U8
- Pockets
- 5 · best druggability 0.63
Structure
x-ray diffraction · resolution 1.9 · 3 distinct chains · 9% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Merozoite surface protein 1 | protein | 90 | 11% helix, 36% strand | Q8I0U8 |
| H | 42C11 Fab Heavy Chain | protein | 212 | 7% helix, 51% strand | — |
| L | 42C11 Fab Light Chain | protein | 213 | 9% helix, 50% strand | — |
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 626 | 0.63 | 0.74 | 70 | empty |
| 2 | 158 | 0.57 | 0.82 | 30 | empty |
| 3 | 273 | 0.55 | 0.76 | 50 | empty |
| 4 | 63 | 0.34 | 0.77 | 15 | empty |
| 5 | 77 | 0.32 | 0.74 | 16 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1789 Ų buried · 16 hydrogen bonds · protein-protein
- A–H · 538 Ų buried · 15 hydrogen bonds · protein-protein
- A–L · 469 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q8I0U8
- Elsewhere: RCSB PDB 8DFI · PDBe 8DFI · UniProt Q8I0U8
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