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MolNFT v1 · #1767 · protein

Methods used in the structure determination of foot and mouth disease virus

1BBT · Foot-and-mouth disease virus (subunit VP1): “Methods used in the structure determination of foot and mouth disease virus”. X-ray diffraction, 6 pockets (best druggability 0.78). MolNFT v1 #1767 on GenesisL1: 3D structure, binding…

PDB
1BBT
Type
protein
Length
662 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Foot-and-mouth disease virus (subunit VP1); Foot-and-mouth disease virus (subunit VP2)…
UniProt
Q84771, O90754
Pockets
6 · best druggability 0.78

Structure

x-ray diffraction · 4 distinct chains · 12% helix, 34% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1Foot-and-mouth disease virus (subunit VP1)protein18615% helix, 30% strandQ84771
2Foot-and-mouth disease virus (subunit VP2)protein21010% helix, 45% strandQ84771
3Foot-and-mouth disease virus (subunit VP3)protein2209% helix, 33% strandQ84771
4Foot-and-mouth disease virus (subunit VP4)protein4626% helix, 2% strandO90754

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110910.780.79107empty
26020.710.7963empty
31600.470.7625empty
4890.360.7619empty
5750.360.7717empty

Interfaces

6 interfaces between chains.

  • 1–2 · 1343 Ų buried · 20 hydrogen bonds · protein-protein
  • 1–3 · 989 Ų buried · 17 hydrogen bonds · protein-protein
  • 2–3 · 916 Ų buried · 11 hydrogen bonds · protein-protein
  • 1–4 · 779 Ų buried · 15 hydrogen bonds · protein-protein
  • 2–4 · 249 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1BBT · Methods used in the structure determination of foot and mouth disease virus · the same entry in another collection · chain 2 against 2, TM-score 1.00

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