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Structure of tomato bushy stunt virus. V. coat protein sequence determination and its structural implications

Analyse Structure of tomato bushy stunt virus. V. coat protein sequence determination… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2TBV
Type
protein
Length
893 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Tomato bushy stunt virus
UniProt
P11795
Ligands
CA
Pockets
9 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 2% helix, 38% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTomato bushy stunt virusprotein2862% helix, 40% strandP11795
CTomato bushy stunt virusprotein3212% helix, 36% strandP11795

Ligands and binding sites

  • CA · Calcium ion · metal · 6 copies · chains A, C, B

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

Pockets

9 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14100.720.8239empty
22120.670.8540empty
32350.660.8438empty
43300.590.7745CA
52250.590.8031empty

Interfaces

3 interfaces between chains.

  • A–B · 717 Ų buried · 12 hydrogen bonds · protein-protein
  • A–C · 709 Ų buried · 20 hydrogen bonds · protein-protein
  • B–C · 634 Ų buried · 6 hydrogen bonds · protein-protein

Compared structures

  • 2TBV · Structure of tomato bushy stunt virus. V. coat protein sequence determination and its… · the same entry in another collection · chain B against B, TM-score 1.00

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