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MolNFT v1 · #144826 · protein

An anti-GH/GL antibody that neutralizes dual-tropic infection defines a site of vulnerability on epstein-barr virus

6C5V · Envelope glycoprotein H: “An anti-GH/GL antibody that neutralizes dual-tropic infection defines a site of vulnerability on epstein-barr…”. Electron microscopy, 3 ligands (NAG, MAN, BMA), 20 pockets (best druggability 0.77). MolNFT…

PDB
6C5V
Type
protein
Length
1,353 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Envelope glycoprotein H; Envelope glycoprotein L; Glycoprotein 42; Antibody Fab AMMO1…
UniProt
K9US75, Q1HVF6, P0C6Z5
Ligands
NAG, MAN, BMA
Pockets
20 · best druggability 0.77

Structure

electron microscopy · 5 distinct chains · 26% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEnvelope glycoprotein Hprotein65539% helix, 20% strandK9US75
BEnvelope glycoprotein Lprotein9441% helix, 15% strandQ1HVF6
CGlycoprotein 42protein17710% helix, 19% strandP0C6Z5
HAntibody Fab AMMO1 heavy chainprotein2158% helix, 53% strand—
LAntibody Fab AMMO1 light chainprotein2129% helix, 48% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 10 copies · chains A, C, B
  • MAN · alpha-D-mannopyranose · sugar · 3 copies · chains L
  • BMA · beta-D-mannopyranose · sugar

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

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
18680.770.8083empty
23080.750.8638empty
31940.720.8834empty
44030.680.8139empty
53550.650.7947empty

Interfaces

8 interfaces between chains.

  • A–C · 2657 Ų buried · 24 hydrogen bonds · protein-protein
  • A–B · 1998 Ų buried · 19 hydrogen bonds · protein-protein
  • H–L · 1662 Ų buried · 12 hydrogen bonds · protein-protein
  • A–H · 499 Ų buried · 7 hydrogen bonds · protein-protein
  • A–L · 302 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 16 disulfide, 9 glycan, 1 modified (disulfide, N-glycosylation, cyclization).

Compared structures

  • 6C5V · An anti-gH/gL antibody that neutralizes dual-tropic infection defines a site of… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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