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Plasmodium vivax reticulocyte binding protein 2B (PVRBP2B) bound to monoclonal antibody 3E9

Analyse Plasmodium vivax reticulocyte binding protein 2B (PVRBP2B) bound to monoclonal… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BPA
Type
protein
Length
1,448 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Reticulocyte binding protein 2, putative; Monoclonal antibody 3E9 Fab heavy chain…
UniProt
A5K736
Ligands
BR
Pockets
12 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 34% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AReticulocyte binding protein 2, putativeprotein29775% helix, 3% strandA5K736
BMonoclonal antibody 3E9 Fab heavy chainprotein2177% helix, 55% strand—
CMonoclonal antibody 3E9 Fab light chainprotein2126% helix, 52% strand—
DReticulocyte binding protein 2, putativeprotein29675% helix, 3% strandA5K736
EMonoclonal antibody 3E9 Fab heavy chainprotein2154% helix, 56% strand—
FMonoclonal antibody 3E9 Fab light chainprotein2116% helix, 50% strand—

Ligands and binding sites

  • BR · Bromide ion · ion · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

12 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19840.780.8071empty
24970.660.7863empty
33680.640.7952empty
43270.590.7740empty
53590.550.7448empty

Interfaces

10 interfaces between chains.

  • B–C · 1802 Ų buried · 12 hydrogen bonds · protein-protein
  • E–F · 1746 Ų buried · 14 hydrogen bonds · protein-protein
  • A–B · 626 Ų buried · 16 hydrogen bonds · protein-protein
  • D–E · 602 Ų buried · 12 hydrogen bonds · protein-protein
  • B–E · 377 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 12 disulfide (disulfide).

Compared structures

  • 6BPA · Plasmodium vivax reticulocyte binding protein 2b (PvRBP2b) bound to monoclonal antibody… · the same entry in another collection · chain A against A, TM-score 1.00

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