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Cryoem structure of SARS-cov-2 spike in complex with NB17

Analyse Cryoem structure of SARS-cov-2 spike in complex with NB17 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7N9T
Type
protein
Length
3,726 residues
Chains
6
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein; Nanobody NB17
UniProt
P0DTC2
Pockets
20 · best druggability 0.88

Structure

electron microscopy · 2 distinct chains · 19% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CSpike glycoproteinprotein112320% helix, 22% strandP0DTC2
D, E, FNanobody NB17protein1193% helix, 34% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18360.880.91113empty
211180.870.87133empty
310570.860.87129empty
411730.850.86126empty
56530.840.8984empty

Interfaces

9 interfaces between chains.

  • A–C · 4456 Ų buried · 29 hydrogen bonds · protein-protein
  • B–C · 4378 Ų buried · 33 hydrogen bonds · protein-protein
  • A–B · 4361 Ų buried · 30 hydrogen bonds · protein-protein
  • B–F · 704 Ų buried · 9 hydrogen bonds · protein-protein
  • A–E · 670 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 33 disulfide (disulfide).

Compared structures

  • 7N9T · CryoEM structure of SARS-CoV-2 Spike in complex with Nb17 · the same entry in another collection · chain A against A, TM-score 1.00

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