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SARS-cov-2 spike protein in complex with a pan-sarbecovirus nanobody 2-34

Analyse SARS-cov-2 spike protein in complex with a pan-sarbecovirus nanobody 2-34 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8CYC
Type
protein
Length
3,677 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein; Pan-sarbecovirus nanobody 2-34
UniProt
P0DTC2
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 3 distinct chains · 20% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, CSpike glycoproteinprotein109720% helix, 28% strandP0DTC2
BSpike glycoproteinprotein110222% helix, 29% strandP0DTC2
D, E, FPan-sarbecovirus nanobody 2-34protein12710% 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
19590.850.86107empty
29490.830.8596empty
34940.830.8948empty
41250.770.9534empty
53960.770.8747empty

Interfaces

7 interfaces between chains.

  • A–B · 4550 Ų buried · 40 hydrogen bonds · protein-protein
  • A–C · 4470 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 4410 Ų buried · 33 hydrogen bonds · protein-protein
  • C–F · 932 Ų buried · 19 hydrogen bonds · protein-protein
  • B–E · 927 Ų buried · 16 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 43 disulfide (disulfide).

Compared structures

  • 8CYC · SARS-CoV-2 Spike protein in complex with a pan-sarbecovirus nanobody 2-34 · the same entry in another collection · chain A against A, TM-score 1.00

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