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MolNFT v1 · #107715 · protein

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

4UIF · Dengue virus serotype 2 strain PVP94 07 - envelope protein: “Cryo-EM structure of dengue virus serotype 2 in complex with antigen- binding fragments of human antibody 2D22”. Electron microscopy, 4 pockets (best druggability 0.43).…

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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