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B6 Fab fragment bound to the OC43 spike stem helix peptide

Analyse B6 Fab fragment bound to the OC43 spike stem helix peptide in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7M51
Type
protein
Length
448 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein stem helix peptide; B6 antigen-binding (Fab) fragment heavy chain; B6…
UniProt
P36334
Pockets
4 · best druggability 0.55

Structure

x-ray diffraction · 3 distinct chains · 9% helix, 50% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpike glycoprotein stem helix peptideprotein1182% helix, 0% strandP36334
HB6 antigen-binding (Fab) fragment heavy chainprotein2198% helix, 50% strand—
LB6 antigen-binding (Fab) fragment light chainprotein2186% helix, 53% strand—

Ligands and binding sites

  • GOL · Glycerol · additive · 4 copies · chains H, L

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13810.550.7450empty
2510.550.9021GOL
31590.440.7525empty
41490.420.7528GOL

Interfaces

3 interfaces between chains.

  • H–L · 1983 Ų buried · 24 hydrogen bonds · protein-protein
  • A–H · 453 Ų buried · 4 hydrogen bonds · protein-protein
  • A–L · 242 Ų buried · 2 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7M51 · B6 Fab fragment bound to the OC43 spike stem helix peptide · the same entry in another collection · chain A against A, TM-score 1.00

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