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Structure of rsv F in complex with vhh CL184

Analyse Structure of rsv F in complex with vhh CL184 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7LVW
Type
protein
Length
3,670 residues
Chains
12
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Fusion glycoprotein F0; F-vhh-CL184
UniProt
W8RJF9
Ligands
NAG, BMA, CL
Pockets
20 · best druggability 0.83

Structure

x-ray diffraction · 5 distinct chains · 28% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, DFusion glycoprotein F0protein48931% helix, 33% strandW8RJF9
G, I, L, J, HF-vhh-CL184protein1237% helix, 48% strand—
B, EFusion glycoprotein F0protein48832% helix, 32% strandW8RJF9
FFusion glycoprotein F0protein49132% helix, 33% strandW8RJF9
KF-vhh-CL184protein1215% helix, 49% strand—

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 5 copies · chains D, A, F
  • BMA · beta-D-mannopyranose · sugar
  • CL · Chloride ion · ion · 5 copies · chains A, D, B, E, F

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111020.830.8574empty
211290.830.8479empty
311180.810.83106empty
46740.760.8254empty
59110.750.7883empty

Interfaces

17 interfaces between chains.

  • C–F · 3179 Ų buried · 39 hydrogen bonds · protein-protein
  • E–F · 3064 Ų buried · 34 hydrogen bonds · protein-protein
  • B–D · 3048 Ų buried · 30 hydrogen bonds · protein-protein
  • A–B · 2961 Ų buried · 25 hydrogen bonds · protein-protein
  • A–D · 2919 Ų buried · 27 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 48 disulfide, 4 glycan (disulfide, N-glycosylation).

Compared structures

  • 7LVW · Structure of RSV F in Complex with VHH Cl184 · the same entry in another collection · chain A against A, TM-score 1.00

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