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MolNFT v1 · #62768 · protein

Cryoem structure of poliovirus receptor bound to poliovirus type 1

3EPC: “Cryoem structure of poliovirus receptor bound to poliovirus type 1”. Electron microscopy, 2 ligands (SPH, MYR), 10 pockets (best druggability 0.85). MolNFT v1 #62768 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3EPC
Type
protein
Length
1,061 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Poliovirus receptor; Protein VP1; Protein VP2; Protein VP4; Protein VP3
UniProt
P15151, P03300
Ligands
SPH, MYR
Pockets
10 · best druggability 0.85

Structure

electron microscopy · 5 distinct chains · 9% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
RPoliovirus receptorprotein2130% helix, 33% strandP15151
1Protein VP1protein28310% helix, 29% strandP03300
2Protein VP2protein26813% helix, 38% strandP03300
4Protein VP4protein6211% helix, 16% strandP03300
3Protein VP3protein23510% helix, 29% strandP03300

Ligands and binding sites

  • SPH · Sphingosine · ligand · chains 1
  • MYR · Myristic acid · ligand · chains 4

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19600.850.87108empty
211190.830.83129SPH
3770.700.9527empty
46480.690.7767empty
53410.630.7943empty

Interfaces

9 interfaces between chains.

  • 1–2 · 2451 Ų buried · 40 hydrogen bonds · protein-protein
  • 1–3 · 1626 Ų buried · 24 hydrogen bonds · protein-protein
  • 1–4 · 1207 Ų buried · 17 hydrogen bonds · protein-protein
  • R–1 · 919 Ų buried · 14 hydrogen bonds · protein-protein
  • 2–3 · 844 Ų buried · 13 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide, 1 lipid (disulfide, myristoylation).

Compared structures

  • 3EPC · CryoEM structure of poliovirus receptor bound to poliovirus type 1 · the same entry in another collection · chain R against R, TM-score 1.00
  • P15151 · AlphaFold monomer V2.0 prediction for poliovirus receptor (P15151) · a predicted model of the same protein · chain R against A, TM-score 0.81

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