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MolNFT v1 · #172037 · protein

Structure of SARS-cov-2 spike protein trimer (single arg S1/S2 cleavage site) in closed state

6ZP0 · Spike glycoprotein: “Structure of SARS-cov-2 spike protein trimer (single arg S1/S2 cleavage site) in closed state”. Electron microscopy, 1 ligand (NAG), 20 pockets (best druggability 0.87). MolNFT v1 #172037 on GenesisL1: 3D…

PDB
6ZP0
Type
protein
Length
3,090 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein
UniProt
P0DTC2
Ligands
NAG
Pockets
20 · best druggability 0.87

Structure

electron microscopy · 1 distinct chain · 22% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CSpike glycoproteinprotein103022% helix, 33% strandP0DTC2

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 60 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110850.870.88119empty
211830.830.84133empty
37000.810.8586empty
411870.810.82120empty
511210.790.81103empty

Interfaces

3 interfaces between chains.

  • A–B · 5445 Ų buried · 43 hydrogen bonds · protein-protein
  • A–C · 5444 Ų buried · 44 hydrogen bonds · protein-protein
  • B–C · 5434 Ų buried · 43 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 48 glycan, 39 disulfide (N-glycosylation, disulfide).

Compared structures

  • 6ZP0 · Structure of SARS-CoV-2 Spike Protein Trimer (single Arg S1/S2 cleavage site) in Closed… · the same entry in another collection · chain A against A, TM-score 1.00

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