Research workbench
FAB236 in complex with the C-terminal alpha-tsr domain of P. falciparum
Analyse FAB236 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
- 7RXJ
- Type
- protein
- Length
- 981 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAB236 light chain; FAB236 heavy chain; Circumsporozoite protein
- UniProt
- Q7K740
- Pockets
- 12 · best druggability 0.65
Structure
x-ray diffraction · 6 distinct chains · 12% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| B | FAB236 light chain | protein | 209 | 8% helix, 50% strand | — |
| A | FAB236 heavy chain | protein | 223 | 9% helix, 48% strand | — |
| L | FAB236 light chain | protein | 210 | 8% helix, 50% strand | — |
| H | FAB236 heavy chain | protein | 216 | 11% helix, 50% strand | — |
| I | Circumsporozoite protein | protein | 61 | 31% helix, 20% strand | Q7K740 |
| G | Circumsporozoite protein | protein | 62 | 37% helix, 10% strand | Q7K740 |
Pockets
12 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 586 | 0.65 | 0.76 | 63 | empty |
| 2 | 365 | 0.57 | 0.75 | 48 | empty |
| 3 | 422 | 0.55 | 0.73 | 50 | empty |
| 4 | 53 | 0.45 | 0.84 | 15 | empty |
| 5 | 125 | 0.39 | 0.74 | 24 | empty |
Interfaces
9 interfaces between chains.
- B–A · 1896 Ų buried · 16 hydrogen bonds · protein-protein
- L–H · 1759 Ų buried · 17 hydrogen bonds · protein-protein
- H–I · 562 Ų buried · 11 hydrogen bonds · protein-protein
- A–G · 560 Ų buried · 10 hydrogen bonds · protein-protein
- B–L · 308 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 7RXJ · Fab236 in complex with the C-terminal alpha-TSR domain of P. falciparum · the same entry in another collection · chain B against B, 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 7RXJ · PDBe 7RXJ · UniProt Q7K740
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