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Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody specific for the fifth immunoglobulin domain (Ig5) of human ROBO1

Analyse Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6A76
Type
protein
Length
425 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.5
Source
Mus musculus
Molecule
Light chain of the anti-human Robo1 antibody B5209B Fab; Heavy chain of the anti-human…
Ligands
SO4
Pockets
5 · best druggability 0.61

Structure

x-ray diffraction · resolution 1.5 · 2 distinct chains · 7% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
LLight chain of the anti-human Robo1 antibody B5209B Fabprotein2116% helix, 51% strand—
HHeavy chain of the anti-human Robo1 antibody B5209B Fabprotein2147% helix, 53% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · chains H
  • GOL · Glycerol · additive · 6 copies · chains L, H

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14740.610.7554GOL
2670.500.8523GOL
31180.370.7420GOL
4630.310.7515empty
5600.290.7513empty

Interfaces

1 interface between chains.

  • L–H · 1772 Ų buried · 9 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 6A76 · Crystal structure of the Fab fragment of B5209B, a murine monoclonal antibody specific… · the same entry in another collection · chain H against H, TM-score 1.00

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