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Crystal structure of puumala virus gn glycoprotein ectodomain

Analyse Crystal structure of puumala virus gn glycoprotein ectodomain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5FXU
Type
protein
Length
663 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Envelope polyprotein
UniProt
Q9WJ31
Ligands
NAG, BMA, MAN
Pockets
7 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 11% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEnvelope polyproteinprotein33111% helix, 47% strandQ9WJ31
BEnvelope polyproteinprotein33211% helix, 46% strandQ9WJ31

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 8 copies · chains A, B
  • BMA · beta-D-mannopyranose · sugar · 2 copies
  • MAN · alpha-D-mannopyranose · sugar

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

Pockets

7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16080.680.7749empty
23090.610.7944empty
33640.610.7740empty
43390.600.7839empty
51420.490.7820empty

Interfaces

1 interface between chains.

  • A–B · 217 Ų buried · 0 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 14 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 5FXU · Crystal Structure of Puumala virus Gn glycoprotein ectodomain · the same entry in another collection · chain A against A, TM-score 1.00

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