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Crystal structure of protective human antibody 3A6 Fab against ebola virus with gp STALK/MPER epitope peptide
Analyse Crystal structure of protective human antibody 3A6 Fab against ebola virus with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7RPU
- Type
- protein
- Length
- 441 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 3A6 Fab heavy chain; 3A6 Fab light chain; GP2 epitope peptide
- UniProt
- P87671
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 9% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 3A6 Fab heavy chain | protein | 210 | 10% helix, 50% strand | — |
| B | 3A6 Fab light chain | protein | 218 | 6% helix, 51% strand | — |
| P | GP2 epitope peptide | protein | 13 | 38% helix, 8% strand | P87671 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 758 | 0.66 | 0.74 | 74 | empty |
| 2 | 50 | 0.50 | 0.88 | 20 | empty |
| 3 | 102 | 0.36 | 0.74 | 22 | empty |
| 4 | 88 | 0.33 | 0.73 | 22 | empty |
| 5 | 72 | 0.29 | 0.73 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1662 Ų buried · 11 hydrogen bonds · protein-protein
- A–P · 485 Ų buried · 13 hydrogen bonds · protein-protein
- B–P · 479 Ų buried · 8 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 7RPU · Crystal Structure of Protective Human Antibody 3A6 Fab Against Ebola Virus with GP… · 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 P87671
- Elsewhere: RCSB PDB 7RPU · PDBe 7RPU · UniProt P87671
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