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Cryo-EM structure of dengue virus serotype 2 in complex with antigen- binding fragments of human antibody 2D22

Analyse Cryo-EM structure of dengue virus serotype 2 in complex with antigen- binding… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4UIF
Type
protein
Length
2,394 residues
Chains
12
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Dengue virus serotype 2 strain PVP94 07 - envelope protein; Dengue virus serotype 2…
UniProt
D6MQ38, E0WXJ3, S6BGD6
Pockets
4 · best druggability 0.43

Structure

electron microscopy · 4 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, EDengue virus serotype 2 strain PVP94 07 - envelope proteinprotein4950% helix, 0% strandD6MQ38
B, D, FDengue virus serotype 2 strain strain PVP94 07 - membrane proteinprotein720% helix, 0% strandE0WXJ3
G, I, KAntigen-binding fragment of human antibody 2D22 - heavy chainprotein1200% helix, 0% strand—
H, J, LAntigen-binding fragment of human antibody 2D22 - light chainprotein1110% helix, 0% strandS6BGD6

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11510.430.7338empty
21150.390.7332empty
31100.380.7329empty
4820.330.7231empty

Interfaces

15 interfaces between chains.

  • E–F · 304 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 269 Ų buried · 0 hydrogen bonds · protein-protein
  • C–D · 246 Ų buried · 0 hydrogen bonds · protein-protein
  • C–E · 229 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 218 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4UIF · Cryo-EM structure of Dengue virus serotype 2 in complex with antigen-binding fragments of… · the same entry in another collection · chain J against J, TM-score 1.00

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