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MolNFT v1 · #171488 · protein

Poliovirus type 3 (strain saukett) stabilised virus-like particle (PV3 SC8) from a mammalian expression system.

6Z6W · Capsid proteins, VP1: “Poliovirus type 3 (strain saukett) stabilised virus-like particle (PV3 SC8) from a mammalian expression…”. Electron microscopy, 1 ligand (SPH), 7 pockets (best druggability 0.76). MolNFT v1 #171488 on…

PDB
6Z6W
Type
protein
Length
713 residues
Chains
3
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid proteins, VP1; Capsid proteins, VP2; Capsid proteins, VP3
UniProt
Q84895, Q84896
Ligands
SPH
Pockets
7 · best druggability 0.76

Structure

electron microscopy · 3 distinct chains · 9% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
1Capsid proteins, VP1protein2328% helix, 34% strandQ84895
0Capsid proteins, VP2protein24610% helix, 39% strandQ84896
3Capsid proteins, VP3protein2358% helix, 33% strandQ84895

Ligands and binding sites

  • SPH · Sphingosine · ligand · chains 1, 3

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14060.760.8554SPH
2620.410.8121empty
3500.400.8217empty
4800.360.7618empty
5770.340.7625empty

Interfaces

3 interfaces between chains.

  • 1–3 · 3218 Ų buried · 59 hydrogen bonds · protein-protein
  • 1–0 · 2080 Ų buried · 26 hydrogen bonds · protein-protein
  • 0–3 · 1618 Ų buried · 23 hydrogen bonds · protein-protein

Compared structures

  • 6Z6W · Poliovirus type 3 (strain Saukett) stabilised virus-like particle (PV3 SC8) from a… · the same entry in another collection · chain 1 against 1, TM-score 1.00

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