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Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122

Analyse Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7U9G
Type
protein
Length
1,860 residues
Chains
9
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycoprotein; RVA122 Fab light chain; RVA122 Fab heavy chain
UniProt
P08667
Ligands
NAG
Pockets
20 · best druggability 0.82

Structure

electron microscopy · 3 distinct chains · 14% helix, 40% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CGlycoproteinprotein38919% helix, 35% strandP08667
D, E, FRVA122 Fab light chainprotein1093% helix, 44% strand—
G, H, IRVA122 Fab heavy chainprotein1227% helix, 50% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 9 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, 17 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111020.820.8397empty
210720.820.83102empty
33120.770.8846empty
46240.770.8358empty
53310.760.8753empty

Interfaces

18 interfaces between chains.

  • A–C · 932 Ų buried · 12 hydrogen bonds · protein-protein
  • B–C · 924 Ų buried · 12 hydrogen bonds · protein-protein
  • A–B · 916 Ų buried · 12 hydrogen bonds · protein-protein
  • B–G · 891 Ų buried · 7 hydrogen bonds · protein-protein
  • C–H · 883 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 27 disulfide, 9 glycan (disulfide, N-glycosylation).

Compared structures

  • 7U9G · Rabies virus glycoprotein pre-fusion trimer in complex with neutralizing antibody RVA122 · the same entry in another collection · chain F against F, TM-score 1.00

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