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Crystal structure of formaldehyde treated empty human enterovirus 71 particle (room temperature)

Analyse Crystal structure of formaldehyde treated empty human enterovirus 71 particle… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3VBR
Type
protein
Length
694 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Genome polyprotein, capsid protein VP1; Genome polyprotein, capsid protein VP0; Genome…
UniProt
B2ZUN0
Pockets
9 · best druggability 0.67

Structure

x-ray diffraction · 3 distinct chains · 10% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGenome polyprotein, capsid protein VP1protein2188% helix, 33% strandB2ZUN0
BGenome polyprotein, capsid protein VP0protein23710% helix, 38% strandB2ZUN0
CGenome polyprotein, capsid protein VP3protein23911% helix, 34% strandB2ZUN0

Pockets

9 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13480.670.8129empty
22670.550.7736empty
31250.480.7927empty
41110.420.7725empty
5800.410.7918empty

Interfaces

3 interfaces between chains.

  • A–C · 3074 Ų buried · 52 hydrogen bonds · protein-protein
  • A–B · 1831 Ų buried · 31 hydrogen bonds · protein-protein
  • B–C · 1550 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 3VBR · Crystal structure of formaldehyde treated empty human Enterovirus 71 particle (room… · the same entry in another collection · chain A against A, TM-score 1.00

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