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Structure of ipnv subviral particle

Analyse Structure of ipnv subviral particle in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IDE
Type
protein
Length
2,077 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid protein VP2
UniProt
Q703G9
Ligands
CO, CL
Pockets
20 · best druggability 0.74

Structure

x-ray diffraction · 2 distinct chains · 13% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, ECapsid protein VP2protein41513% helix, 41% strandQ703G9
B, DCapsid protein VP2protein41613% helix, 41% strandQ703G9

Ligands and binding sites

  • CO · Cobalt (II) ion · metal · 3 copies · chains A, C, E
  • CL · Chloride ion · ion · 3 copies · chains A, C, E

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 19 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11990.740.9025empty
21870.740.9026empty
32340.740.8834empty
42370.730.8833empty
52490.720.8736empty

Interfaces

5 interfaces between chains.

  • D–E · 1000 Ų buried · 11 hydrogen bonds · protein-protein
  • B–C · 980 Ų buried · 11 hydrogen bonds · protein-protein
  • A–E · 908 Ų buried · 5 hydrogen bonds · protein-protein
  • A–B · 903 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 836 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 3IDE · Structure of IPNV subviral particle · the same entry in another collection · chain A against A, TM-score 1.00

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