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MolNFT v1 · #179242 · protein

SARS-cov-2 spike in complex with LCB3 (local refinement of the rbd and LCB3)

7JZM: “SARS-cov-2 spike in complex with LCB3 (local refinement of the rbd and LCB3)”. Electron microscopy, 2 ligands (NAG, FUC), 3 pockets (best druggability 0.37). MolNFT v1 #179242 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
7JZM
Type
protein
Length
258 residues
Chains
2
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
LCB3; Spike glycoprotein
UniProt
P0DTC2
Ligands
NAG, FUC
Pockets
3 · best druggability 0.37

Structure

electron microscopy · 2 distinct chains · 32% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALCB3protein6483% helix, 0% strand—
BSpike glycoproteinprotein19415% helix, 30% strandP0DTC2

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains B
  • FUC · alpha-L-fucopyranose · sugar

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

Pockets

3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1650.370.7814empty
2830.340.7517empty
3660.310.7518empty

Interfaces

1 interface between chains.

  • A–B · 829 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 7JZM · SARS-CoV-2 spike in complex with LCB3 (local refinement of the RBD and LCB3) · the same entry in another collection · chain A against A, TM-score 1.00

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