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SARS-cov-2 wuhan-hu-1-spike-rbd bound to linker variant of affinity matured ACE2 mimetic CVD432

Analyse SARS-cov-2 wuhan-hu-1-spike-rbd bound to linker variant of affinity matured… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
8DV1
Type
protein
Length
796 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein; Angiotensin-converting enzyme 2,IMMUNOGLOBULIN gamma-1 heavy chain…
EC
3.4.17.23, 3.4.17.-
UniProt
P0DTC2, Q9BYF1
Pockets
7 · best druggability 0.66

Structure

electron microscopy · 2 distinct chains · 49% helix, 10% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ASpike glycoproteinprotein20114% helix, 27% strandP0DTC2
DAngiotensin-converting enzyme 2,IMMUNOGLOBULIN gamma-1 heavy chain fusion (EC 3.4.17.23, 3.4.17.-)protein59561% helix, 4% strandQ9BYF1

Pockets

7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13540.660.8134empty
23570.650.8034empty
33480.610.7837empty
41500.460.7731empty
5710.340.7616empty

Interfaces

1 interface between chains.

  • A–D · 880 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 7 disulfide (disulfide).

Compared structures

  • 8DV1 · SARS-CoV-2 Wuhan-hu-1-Spike-RBD bound to linker variant of affinity matured ACE2 mimetic… · the same entry in another collection · chain D against D, TM-score 1.00
  • 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
  • 3SCI · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
  • 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
  • 3SCJ · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.99
  • 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.98
  • 3SCK · Crystal structure of spike protein receptor-binding domain from a predicted SARS… · a predicted model of the same protein · chain D against A, TM-score 0.98
  • Q9BYF1 · AlphaFold monomer V2.0 prediction for angiotensin-converting enzyme 2 (Q9BYF1) · a predicted model of the same protein · chain D against A, TM-score 0.98

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