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Complex of recombinant bet V 1 with Fab fragment of REGN5715

Analyse Complex of recombinant bet V 1 with Fab fragment of REGN5715 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7N0V
Type
protein
Length
584 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
REGN5715 Fab heavy chain; REGN5715 Fab light chain; Major pollen allergen bet V 1-a
UniProt
P15494
Pockets
6 · best druggability 0.82

Structure

x-ray diffraction · 3 distinct chains · 13% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HREGN5715 Fab heavy chainprotein2107% helix, 55% strand—
LREGN5715 Fab light chainprotein2159% helix, 51% strand—
CMajor pollen allergen bet V 1-aprotein15926% helix, 41% strandP15494

Pockets

6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14500.820.8949empty
22900.500.7344empty
31980.460.7424empty
4790.370.7718empty
51050.360.7420empty

Interfaces

3 interfaces between chains.

  • H–L · 1788 Ų buried · 12 hydrogen bonds · protein-protein
  • H–C · 568 Ų buried · 20 hydrogen bonds · protein-protein
  • L–C · 46 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 7N0V · Complex of recombinant Bet v 1 with Fab fragment of REGN5715 · 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

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