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MolNFT v1 · #189980 · protein

Transition state of SARS-cov-2 delta variant spike protein

7W94 · Spike glycoprotein: “Transition state of SARS-cov-2 delta variant spike protein”. Electron microscopy, 20 pockets (best druggability 0.85). MolNFT v1 #189980 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7W94
Type
protein
Length
3,206 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Spike glycoprotein
UniProt
P0DTC2
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 2 distinct chains · 19% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
B, CSpike glycoproteinprotein106819% helix, 27% strandP0DTC2
ASpike glycoproteinprotein107019% helix, 30% strandP0DTC2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17600.850.8887empty
210950.850.86122empty
39730.820.8495empty
411460.810.82116empty
56890.810.8567empty

Interfaces

3 interfaces between chains.

  • B–C · 4588 Ų buried · 33 hydrogen bonds · protein-protein
  • C–A · 4461 Ų buried · 46 hydrogen bonds · protein-protein
  • B–A · 4353 Ų buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 39 disulfide (disulfide).

Compared structures

  • 7W94 · Transition state of SARS-CoV-2 Delta variant spike protein · the same entry in another collection · chain B against B, TM-score 1.00

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