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MolNFT v1 · #181492 · protein

Mink cluster 5-associated SARS-cov-2 spike protein (S-gsas-D614G- delfv) in the 3-rbd down conformation

7LWJ · Spike glycoprotein: “Mink cluster 5-associated SARS-cov-2 spike protein (S-gsas-D614G- delfv) in the 3-rbd down conformation”. Electron microscopy, 1 ligand (NAG), 20 pockets (best druggability 0.85). MolNFT v1 #181492 on GenesisL1…

PDB
7LWJ
Type
protein
Length
3,003 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 0.85

Structure

electron microscopy · 1 distinct chain · 23% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CSpike glycoproteinprotein100123% helix, 32% strandP0DTC2

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 30 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
18640.850.8790empty
25640.840.9069empty
39210.810.83105empty
48540.800.8382empty
511550.760.7882empty

Interfaces

3 interfaces between chains.

  • B–C · 4951 Ų buried · 42 hydrogen bonds · protein-protein
  • A–C · 4815 Ų buried · 45 hydrogen bonds · protein-protein
  • A–B · 4678 Ų buried · 43 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 34 disulfide, 30 glycan (disulfide, N-glycosylation).

Compared structures

  • 7LWJ · Mink Cluster 5-associated SARS-CoV-2 spike protein (S-GSAS-D614G-delFV) in the 3-RBD down… · the same entry in another collection · chain A against A, TM-score 1.00

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