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MolNFT v1 · #162795 · protein

Echovirus 1 intact particle

6RJF · VP1: “Echovirus 1 intact particle”. Electron microscopy, 1 ligand (PLM), 16 pockets (best druggability 0.79). MolNFT v1 #162795 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6RJF
Type
protein
Length
836 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
VP1; VP2; VP3; VP4
UniProt
O91734
Ligands
PLM
Pockets
16 · best druggability 0.79

Structure

electron microscopy · 4 distinct chains · 10% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1VP1protein2819% helix, 32% strandO91734
2VP2protein25512% helix, 39% strandO91734
3VP3protein23910% helix, 33% strandO91734
4VP4protein6111% helix, 15% strand—

Ligands and binding sites

  • PLM · Palmitic acid · ligand · chains 1

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14910.790.8660PLM
2860.550.8521empty
3850.530.8515empty
41460.510.7922empty
51460.490.7825empty

Interfaces

6 interfaces between chains.

  • 1–3 · 4286 Ų buried · 65 hydrogen bonds · protein-protein
  • 1–2 · 2086 Ų buried · 31 hydrogen bonds · protein-protein
  • 2–3 · 1622 Ų buried · 16 hydrogen bonds · protein-protein
  • 1–4 · 1550 Ų buried · 20 hydrogen bonds · protein-protein
  • 3–4 · 937 Ų buried · 12 hydrogen bonds · protein-protein

Compared structures

  • 6RJF · Echovirus 1 intact particle · the same entry in another collection · chain 3 against 3, TM-score 1.00

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