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Structure of DBP in complex with human neutralizing antibody 092096

Analyse Structure of DBP in complex with human neutralizing antibody 092096 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6OAO
Type
protein
Length
3,080 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.497
Source
Homo sapiens; Plasmodium vivax
Molecule
Duffy binding surface protein region II; Antibody 092096 single chain variable fragment
UniProt
B7T089
Ligands
SO4
Pockets
20 · best druggability 0.72

Structure

x-ray diffraction · resolution 3.497 · 8 distinct chains · 38% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, GDuffy binding surface protein region IIprotein28465% helix, 1% strandB7T089
B, D, LAntibody 092096 single chain variable fragmentprotein2276% helix, 44% strand—
CDuffy binding surface protein region IIprotein28863% helix, 1% strandB7T089
E, KDuffy binding surface protein region IIprotein28564% helix, 1% strandB7T089
FAntibody 092096 single chain variable fragmentprotein2296% helix, 44% strand—
HAntibody 092096 single chain variable fragmentprotein2297% helix, 44% strand—
IDuffy binding surface protein region IIprotein28763% helix, 1% strandB7T089
JAntibody 092096 single chain variable fragmentprotein2286% helix, 44% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains E

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

Pockets

20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11220.720.9224empty
28700.710.7686empty
31400.700.9126empty
47810.690.7669empty
53160.680.8342empty

Interfaces

25 interfaces between chains.

  • E–F · 1199 Ų buried · 12 hydrogen bonds · protein-protein
  • G–H · 1196 Ų buried · 15 hydrogen bonds · protein-protein
  • I–J · 1182 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 1179 Ų buried · 17 hydrogen bonds · protein-protein
  • K–L · 1179 Ų buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 48 disulfide (disulfide).

Compared structures

  • 6OAO · Structure of dbp in complex with human neutralizing antibody 092096 · the same entry in another collection · chain A against A, TM-score 1.00

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