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Three-dimensional structure of dengue virus serotype 1 complexed with 2 hmab 14C10 Fab

Analyse Three-dimensional structure of dengue virus serotype 1 complexed with 2 hmab… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4CAU
Type
protein
Length
1,588 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Envelope protein E; Fab 14C10
UniProt
Q689G3
Pockets
6 · best druggability 0.48

Structure

electron microscopy · 2 distinct chains · 0% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CEnvelope protein Eprotein3760% helix, 0% strandQ689G3
D, EFab 14C10protein2300% helix, 0% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11950.480.7352empty
21860.470.7345empty
31220.400.7335empty
41070.380.7324empty
5730.310.7222empty

Interfaces

5 interfaces between chains.

  • B–C · 156 Ų buried · 0 hydrogen bonds · protein-protein
  • A–E · 106 Ų buried · 0 hydrogen bonds · protein-protein
  • C–D · 93 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 77 Ų buried · 0 hydrogen bonds · protein-protein
  • A–B · 50 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 4CAU · Three-dimensional structure of dengue virus serotype 1 complexed with 2 hmab 14C10 Fab · the same entry in another collection · chain A against A, TM-score 1.00

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