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MolNFT v1 · #147364 · protein

Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor escape variant F488I stabilized in the prefusion state

6EAN · Fusion glycoprotein F0: “Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor escape variant F488I…”. X-ray diffraction, 2 ligands (NAG, SO4), 3 pockets (best druggability 0.53). MolNFT v1 #147364 on…

PDB
6EAN
Type
protein
Length
444 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion glycoprotein F0
UniProt
W8RJF9
Ligands
NAG, SO4
Pockets
3 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 31% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
FFusion glycoprotein F0protein44431% helix, 34% strandW8RJF9

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains F
  • SO4 · Sulfate ion · ion · 5 copies · chains F
  • NHE · 2-[N-cyclohexylamino]ethane sulfonic acid · additive · 2 copies · chains F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1730.530.8617empty
21780.450.7523empty
3640.290.7413empty

Modifications

Observed in the structure: 8 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 6EAN · Crystal structure of human respiratory syncytial virus fusion glycoprotein inhibitor… · the same entry in another collection · chain F against F, TM-score 1.00

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