Research workbench
Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum
Analyse Fab234 in complex with the C-terminal alpha-TSR domain of P. falciparum in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RXI
- Type
- protein
- Length
- 490 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.15
- Source
- Homo sapiens; Plasmodium falciparum (isolate 3D7)
- Molecule
- Fab234 light chain; Fab234 heavy chain; Circumsporozoite protein
- UniProt
- Q7K740
- Pockets
- 5 · best druggability 0.44
Structure
x-ray diffraction · resolution 2.15 · 3 distinct chains · 9% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | Fab234 light chain | protein | 210 | 8% helix, 49% strand | — |
| H | Fab234 heavy chain | protein | 216 | 4% helix, 55% strand | — |
| A | Circumsporozoite protein | protein | 64 | 31% helix, 22% strand | Q7K740 |
Pockets
5 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 69 | 0.44 | 0.81 | 13 | empty |
| 2 | 53 | 0.36 | 0.79 | 12 | empty |
| 3 | 79 | 0.30 | 0.72 | 19 | empty |
| 4 | 69 | 0.29 | 0.73 | 15 | empty |
| 5 | 61 | 0.27 | 0.73 | 20 | empty |
Interfaces
3 interfaces between chains.
- L–H · 1630 Ų buried · 12 hydrogen bonds · protein-protein
- H–A · 651 Ų buried · 12 hydrogen bonds · protein-protein
- L–A · 244 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 7RXI · FAB234 in complex with the C-terminal alpha-tsr domain of P. falciparum · 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
- Every structure of UniProt Q7K740
- Elsewhere: RCSB PDB 7RXI · PDBe 7RXI · UniProt Q7K740
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