MolNFT v1 · #187003 · protein
FAB1488 in complex with the C-terminal alpha-tsr domain of P. falciparum
7RXL · FAB1488 light chain: “FAB1488 in complex with the C-terminal alpha-tsr domain of P. falciparum”. X-ray diffraction, 10 pockets (best druggability 0.74). MolNFT v1 #187003 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 7RXL
- Type
- protein
- Length
- 987 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- FAB1488 light chain; FAB1488 heavy chain; Circumsporozoite protein
- UniProt
- Q7K740
- Pockets
- 10 · best druggability 0.74
Structure
x-ray diffraction · 5 distinct chains · 10% helix, 50% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| L | FAB1488 light chain | protein | 208 | 8% helix, 51% strand | — |
| H | FAB1488 heavy chain | protein | 218 | 8% helix, 51% strand | — |
| D | FAB1488 light chain | protein | 207 | 8% helix, 51% strand | — |
| C | FAB1488 heavy chain | protein | 222 | 9% helix, 52% strand | — |
| E, F | Circumsporozoite protein | protein | 66 | 30% helix, 27% strand | Q7K740 |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1095 | 0.74 | 0.77 | 96 | empty |
| 2 | 603 | 0.62 | 0.74 | 67 | empty |
| 3 | 446 | 0.57 | 0.74 | 56 | empty |
| 4 | 128 | 0.57 | 0.84 | 27 | empty |
| 5 | 109 | 0.52 | 0.83 | 23 | empty |
Interfaces
9 interfaces between chains.
- D–C · 1725 Ų buried · 15 hydrogen bonds · protein-protein
- L–H · 1704 Ų buried · 14 hydrogen bonds · protein-protein
- H–E · 511 Ų buried · 15 hydrogen bonds · protein-protein
- C–F · 511 Ų buried · 14 hydrogen bonds · protein-protein
- L–C · 406 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 7RXL · Fab1488 in complex with the C-terminal alpha-TSR domain of P. falciparum · the same entry in another collection · chain D against D, 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 7RXL · PDBe 7RXL · UniProt Q7K740
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