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Structure of seneca valley virus-001

Analyse Structure of seneca valley virus-001 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3CJI
Type
protein
Length
799 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Polyprotein
UniProt
Q155Z9
Ligands
CA
Pockets
10 · best druggability 0.69

Structure

x-ray diffraction · 4 distinct chains · 10% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APolyproteinprotein2589% helix, 32% strandQ155Z9
BPolyproteinprotein2388% helix, 33% strandQ155Z9
CPolyproteinprotein26813% helix, 37% strandQ155Z9
DPolyproteinprotein3511% helix, 14% strandQ155Z9

Ligands and binding sites

  • CA · Calcium ion · metal · chains B

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

Pockets

10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12100.690.8629empty
23740.640.7943empty
33340.610.7853empty
41990.490.7633empty
51630.480.7726empty

Interfaces

6 interfaces between chains.

  • A–B · 3400 Ų buried · 51 hydrogen bonds · protein-protein
  • A–C · 2807 Ų buried · 41 hydrogen bonds · protein-protein
  • B–C · 1736 Ų buried · 16 hydrogen bonds · protein-protein
  • B–D · 924 Ų buried · 10 hydrogen bonds · protein-protein
  • A–D · 560 Ų buried · 7 hydrogen bonds · protein-protein

Compared structures

  • 3CJI · Structure of Seneca Valley Virus-001 · the same entry in another collection · chain A against A, TM-score 1.00

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