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Hepatitis B virus core shell--virus-like particle with nada epitope

Analyse Hepatitis B virus core shell--virus-like particle with nada epitope in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TIK
Type
protein
Length
550 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid PROTEIN,PUTATIVE ADHESIN/INVASIN,CAPSID protein, factor H-binding protein
UniProt
Q67855, D3IRF1, Q6QCC2
Pockets
7 · best druggability 0.69

Structure

electron microscopy · 2 distinct chains · 70% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
C, ACapsid PROTEIN,PUTATIVE ADHESIN/INVASIN,CAPSID protein, factor H-binding proteinprotein13772% helix, 0% strandQ67855, D3IRF1, Q6QCC2
D, BCapsid PROTEIN,PUTATIVE ADHESIN/INVASIN,CAPSID protein, factor H-binding proteinprotein13868% helix, 0% strandQ67855, D3IRF1, Q6QCC2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12220.690.8531empty
2680.580.8918empty
31420.560.8220empty
41140.540.8320empty
5970.490.8119empty

Interfaces

3 interfaces between chains.

  • C–D · 2009 Ų buried · 15 hydrogen bonds · protein-protein
  • B–A · 1992 Ų buried · 14 hydrogen bonds · protein-protein
  • C–B · 606 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 6TIK · Hepatitis B virus core shell--virus-like particle with NadA epitope · the same entry in another collection · chain C against C, TM-score 1.00

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