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Structure of the major structural protein D135 of acidianus tailed spindle virus (atsv)

Analyse Structure of the major structural protein D135 of acidianus tailed spindle… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5EQW
Type
protein
Length
612 residues
Chains
5
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative major coat protein
UniProt
A0A125SJ78
Ligands
NO3
Pockets
4 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 65% helix, 4% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, DPutative major coat proteinprotein12264% helix, 4% strandA0A125SJ78
B, EPutative major coat proteinprotein12367% helix, 4% strandA0A125SJ78

Ligands and binding sites

  • NO3 · Nitrate ion · ion · 10 copies · chains A, B, C, D, E

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11600.480.7723empty
21470.460.7621empty
31610.450.7522empty
41390.450.7620empty

Interfaces

4 interfaces between chains.

  • B–C · 746 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 729 Ų buried · 3 hydrogen bonds · protein-protein
  • D–E · 729 Ų buried · 5 hydrogen bonds · protein-protein
  • C–D · 728 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 25 modified (engineered).

Compared structures

  • 5EQW · Structure of the major structural protein D135 of Acidianus tailed spindle virus (ATSV) · the same entry in another collection · chain A against A, TM-score 1.00

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