MolNFT v1 · #182593 · protein
Complex of bet V 1 with the Fab fragments of a three antibody cocktail
7MXL · REGN5713 antibody Fab fragment heavy chain: “Complex of bet V 1 with the Fab fragments of a three antibody cocktail”. Electron microscopy, 18 pockets (best druggability 0.79). MolNFT v1 #182593 on GenesisL1: 3D structure, binding…
- PDB
- 7MXL
- Type
- protein
- Length
- 1,422 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- REGN5713 antibody Fab fragment heavy chain; REGN5713 antibody Fab fragment light chain…
- UniProt
- P15494
- Pockets
- 18 · best druggability 0.79
Structure
electron microscopy · 7 distinct chains · 7% helix, 46% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | REGN5713 antibody Fab fragment heavy chain | protein | 206 | 3% helix, 48% strand | — |
| B | REGN5713 antibody Fab fragment light chain | protein | 200 | 5% helix, 36% strand | — |
| C | Major pollen allergen bet V 1-a | protein | 159 | 25% helix, 39% strand | P15494 |
| J | REGN5715 antibody Fab fragment heavy chain | protein | 212 | 3% helix, 54% strand | — |
| K | REGN5715 antibody Fab fragment light chain | protein | 215 | 7% helix, 46% strand | — |
| L | REGN5714 antibody Fab fragment light chain | protein | 213 | 6% helix, 48% strand | — |
| H | REGN5714 antibody Fab fragment heavy chain | protein | 217 | 6% helix, 49% strand | — |
Pockets
18 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 642 | 0.79 | 0.84 | 63 | empty |
| 2 | 380 | 0.57 | 0.75 | 46 | empty |
| 3 | 311 | 0.52 | 0.74 | 41 | empty |
| 4 | 302 | 0.51 | 0.74 | 48 | empty |
| 5 | 258 | 0.50 | 0.74 | 50 | empty |
Interfaces
9 interfaces between chains.
- L–H · 1897 Ų buried · 23 hydrogen bonds · protein-protein
- J–K · 1761 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 1538 Ų buried · 10 hydrogen bonds · protein-protein
- C–H · 666 Ų buried · 16 hydrogen bonds · protein-protein
- C–J · 628 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 disulfide (disulfide).
Compared structures
- 7MXL · Complex of Bet v 1 with the Fab fragments of a three antibody cocktail · the same entry in another collection · chain H against H, TM-score 1.00
- P15494 · AlphaFold monomer V2.0 prediction for major pollen allergen bet V 1-a (P15494) · a predicted model of the same protein · chain C against A, TM-score 0.98
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 P15494
- Elsewhere: RCSB PDB 7MXL · PDBe 7MXL · UniProt P15494
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