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Crystal structure of non-neutralizing antibody in complex with epitope II of HCV E2

Analyse Crystal structure of non-neutralizing antibody in complex with epitope II of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4Q0X
Type
protein
Length
443 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Mab 12 heavy chain; Mab 12 light chain; Envelope glycoprotein E2
UniProt
P27958
Pockets
5 · best druggability 0.46

Structure

x-ray diffraction · 3 distinct chains · 6% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
HMab 12 heavy chainprotein2166% helix, 54% strand—
LMab 12 light chainprotein2184% helix, 50% strand—
EEnvelope glycoprotein E2protein956% helix, 0% strandP27958

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12320.460.7343empty
21050.410.7719empty
31410.410.7425empty
4690.310.7415empty
5620.290.7414empty

Interfaces

3 interfaces between chains.

  • H–L · 1816 Ų buried · 14 hydrogen bonds · protein-protein
  • H–E · 420 Ų buried · 5 hydrogen bonds · protein-protein
  • L–E · 190 Ų buried · 1 hydrogen bond · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 4Q0X · Crystal structure of non-neutralizing antibody in complex with Epitope II of HCV E2 · the same entry in another collection · chain H against H, TM-score 1.00

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