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Expanded poliovirus in complex with vhh 17B

Analyse Expanded poliovirus in complex with vhh 17B in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5KU0
Type
protein
Length
806 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
VP1; VP2; VP3; Vhh 17B
UniProt
P03300
Pockets
8 · best druggability 0.70

Structure

electron microscopy · 4 distinct chains · 10% helix, 32% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1VP1protein20511% helix, 35% strandP03300
2VP2protein24612% helix, 32% strandP03300
3VP3protein2319% helix, 27% strandP03300
7Vhh 17Bprotein1245% helix, 35% strand—

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12800.700.8550empty
2550.620.9319empty
32230.570.7925empty
43440.550.7443empty
52350.500.7537empty

Interfaces

4 interfaces between chains.

  • 1–3 · 2789 Ų buried · 34 hydrogen bonds · protein-protein
  • 2–3 · 1847 Ų buried · 24 hydrogen bonds · protein-protein
  • 1–2 · 1284 Ų buried · 11 hydrogen bonds · protein-protein
  • 3–7 · 1076 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 5KU0 · expanded poliovirus in complex with VHH 17B · the same entry in another collection · chain 7 against 7, TM-score 1.00

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