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MolNFT v1 · #81931 · protein

Structural basis for broad detection of genogroup II noroviruses by a monoclonal antibody that binds to a site occluded in the viral particle

3V7A · 5B18 heavy chain: “Structural basis for broad detection of genogroup II noroviruses by a monoclonal antibody that binds to a…”. X-ray diffraction, 16 pockets (best druggability 0.76). MolNFT v1 #81931 on GenesisL1: 3D structure…

PDB
3V7A
Type
protein
Length
1,494 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5B18 heavy chain; 5B18 kappa chain; Capsid
Pockets
16 · best druggability 0.76

Structure

x-ray diffraction · 4 distinct chains · 7% helix, 42% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
F, E5B18 heavy chainprotein2207% helix, 50% strand—
G, H5B18 kappa chainprotein2155% helix, 47% strand—
ACapsidprotein3157% helix, 37% strand—
BCapsidprotein3097% helix, 37% strand—

Pockets

16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11180.760.9631empty
24200.660.7953empty
34360.660.7955empty
43900.560.7458empty
53800.550.7457empty

Interfaces

7 interfaces between chains.

  • A–B · 2005 Ų buried · 30 hydrogen bonds · protein-protein
  • F–G · 1995 Ų buried · 17 hydrogen bonds · protein-protein
  • E–H · 1988 Ų buried · 16 hydrogen bonds · protein-protein
  • F–B · 476 Ų buried · 1 hydrogen bond · protein-protein
  • E–A · 456 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 8 disulfide (disulfide).

Compared structures

  • 3V7A · Structural basis for broad detection of genogroup II noroviruses by a monoclonal antibody… · the same entry in another collection · chain F against F, TM-score 1.00

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