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Potent neutralizing nanobodies resist convergent circulating variants of SARS-cov-2 by targeting novel and conserved epitopes-covs with NB34

Analyse Potent neutralizing nanobodies resist convergent circulating variants of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7N9E
Type
protein
Length
2,866 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
NB34 nanobody; Spike glycoprotein
UniProt
P0DTC2
Pockets
20 · best druggability 0.86

Structure

electron microscopy · 4 distinct chains · 23% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
DNB34 nanobodyprotein1215% helix, 38% strand—
ASpike glycoproteinprotein99324% helix, 30% strandP0DTC2
BSpike glycoproteinprotein80925% helix, 30% strandP0DTC2
CSpike glycoproteinprotein94323% helix, 30% strandP0DTC2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19670.860.87120empty
27630.860.89109empty
311200.820.83108empty
41260.750.9426empty
54020.750.8553empty

Interfaces

5 interfaces between chains.

  • A–B · 4934 Ų buried · 32 hydrogen bonds · protein-protein
  • A–C · 4065 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 3819 Ų buried · 37 hydrogen bonds · protein-protein
  • D–A · 596 Ų buried · 5 hydrogen bonds · protein-protein
  • D–B · 101 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 35 disulfide (disulfide).

Compared structures

  • 7N9E · Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by… · the same entry in another collection · chain D against D, TM-score 1.00

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