MolNFT v1 · #182684 · protein
Complex of recombinant bet V 1 with Fab fragment of REGN5713
7N0U · REGN5713 Fab fragment heavy chain: “Complex of recombinant bet V 1 with Fab fragment of REGN5713”. X-ray diffraction, 2 ligands (NAG, SO4), 4 pockets (best druggability 0.82). MolNFT v1 #182684 on GenesisL1: 3D structure, binding…
- PDB
- 7N0U
- Type
- protein
- Length
- 580 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- REGN5713 Fab fragment heavy chain; REGN5713 Fab fragment light chain; Recombinant bet V 1
- UniProt
- P15494
- Ligands
- NAG, SO4
- Pockets
- 4 · best druggability 0.82
Structure
x-ray diffraction · 3 distinct chains · 12% helix, 49% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| H | REGN5713 Fab fragment heavy chain | protein | 207 | 6% helix, 56% strand | — |
| L | REGN5713 Fab fragment light chain | protein | 214 | 7% helix, 50% strand | — |
| C | Recombinant bet V 1 | protein | 159 | 26% helix, 38% strand | P15494 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 738 | 0.82 | 0.85 | 66 | empty |
| 2 | 585 | 0.61 | 0.73 | 57 | empty |
| 3 | 62 | 0.34 | 0.77 | 17 | empty |
| 4 | 53 | 0.28 | 0.74 | 15 | empty |
Interfaces
3 interfaces between chains.
- H–L · 1824 Ų buried · 14 hydrogen bonds · protein-protein
- H–C · 591 Ų buried · 8 hydrogen bonds · protein-protein
- L–C · 277 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide, 2 glycan (disulfide, N-glycosylation, glycosylation).
Compared structures
- 7N0U · Complex of recombinant Bet v 1 with Fab fragment of REGN5713 · 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 0.99
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 7N0U · PDBe 7N0U · UniProt P15494
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