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Potent neutralizing nanobodies resist convergent circulating variants of SARS-cov-2 by targeting novel and conserved epitopes-covs with NB21

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
7N9B
Type
protein
Length
3,197 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein; NB21 nanobody
UniProt
P0DTC2
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 4 distinct chains · 22% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpike glycoproteinprotein98922% helix, 29% strandP0DTC2
BSpike glycoproteinprotein98623% helix, 27% strandP0DTC2
CSpike glycoproteinprotein98822% helix, 29% strandP0DTC2
D, FNB21 nanobodyprotein1173% helix, 46% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111850.870.89137empty
27880.840.87102empty
310620.800.81120empty
411420.770.79117empty
57490.770.8291empty

Interfaces

6 interfaces between chains.

  • A–C · 5090 Ų buried · 44 hydrogen bonds · protein-protein
  • B–C · 4718 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 4294 Ų buried · 22 hydrogen bonds · protein-protein
  • A–D · 819 Ų buried · 7 hydrogen bonds · protein-protein
  • C–F · 761 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 31 disulfide (disulfide).

Compared structures

  • 7N9B · Potent neutralizing nanobodies resist convergent circulating variants of SARS-CoV-2 by… · the same entry in another collection · chain A against A, TM-score 1.00

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