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Anthrax toxin receptor 1-bound full particles of seneca valley virus in acidic conditions

Analyse Anthrax toxin receptor 1-bound full particles of seneca valley virus in acidic… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ADM
Type
protein
Length
973 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
VP1; VP3; VP2; VP4; Anthrax toxin receptor 1
UniProt
A0A1U9IRU2, Q9H6X2
Ligands
MG
Pockets
14 · best druggability 0.68

Structure

electron microscopy · 5 distinct chains · 14% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVP1protein2588% helix, 30% strandA0A1U9IRU2
CVP3protein2286% helix, 32% strandA0A1U9IRU2
BVP2protein26711% helix, 33% strandA0A1U9IRU2
DVP4protein3511% helix, 11% strandA0A1U9IRU2
RAnthrax toxin receptor 1protein18537% helix, 23% strandQ9H6X2

Ligands and binding sites

  • MG · Magnesium ion · metal · chains R

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

Pockets

14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11690.680.8726empty
25160.670.7852empty
34470.600.7543empty
42010.550.7934empty
51690.530.7927empty

Interfaces

8 interfaces between chains.

  • A–C · 3361 Ų buried · 53 hydrogen bonds · protein-protein
  • A–B · 2751 Ų buried · 44 hydrogen bonds · protein-protein
  • C–B · 1651 Ų buried · 16 hydrogen bonds · protein-protein
  • C–D · 936 Ų buried · 9 hydrogen bonds · protein-protein
  • B–R · 607 Ų buried · 15 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6ADM · Anthrax Toxin Receptor 1-bound full particles of Seneca Valley Virus in acidic conditions · the same entry in another collection · chain C against C, TM-score 1.00
  • Q9H6X2 · AlphaFold monomer V2.0 prediction for anthrax toxin receptor 1 (Q9H6X2) · a predicted model of the same protein · chain R against A, TM-score 0.90

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