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Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab fragment

Analyse Crystal structure of anti- MERS-CoV human neutralizing LCA60 antibody Fab… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6NB5
Type
protein
Length
862 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3
Source
Homo sapiens
Molecule
LCA60 antigen-binding (Fab) fragment, heavy chain; LCA60 antigen-binding (Fab) fragment…
Pockets
13 · best druggability 0.73

Structure

x-ray diffraction · resolution 3 · 4 distinct chains · 8% helix, 48% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HLCA60 antigen-binding (Fab) fragment, heavy chainprotein2207% helix, 51% strand—
LLCA60 antigen-binding (Fab) fragment, light chainprotein2109% helix, 45% strand—
ILCA60 antigen-binding (Fab) fragment, heavy chainprotein2238% helix, 50% strand—
MLCA60 antigen-binding (Fab) fragment, light chainprotein2097% helix, 47% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15970.730.8166empty
27100.700.7756empty
32980.660.8246empty
41510.570.8224empty
51750.530.7939empty

Interfaces

5 interfaces between chains.

  • I–M · 1907 Ų buried · 24 hydrogen bonds · protein-protein
  • H–L · 1879 Ų buried · 17 hydrogen bonds · protein-protein
  • H–M · 220 Ų buried · 1 hydrogen bond · protein-protein
  • L–I · 167 Ų buried · 1 hydrogen bond · protein-protein
  • H–I · 129 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 6NB5 · Crystal structure of anti- MERS-cov human neutralizing LCA60 antibody Fab fragment · the same entry in another collection · chain H against H, TM-score 1.00

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