GL1X · GenesisL1 explorer

MolNFT v1 · #189829 · protein

Coxsackievirus B3(VP3-234N) incubate with CD55 at PH7.4

7VY6 · Capsid protein VP1: “Coxsackievirus B3(VP3-234N) incubate with CD55 at PH7.4”. Electron microscopy, 1 ligand (PLM), 11 pockets (best druggability 0.79). MolNFT v1 #189829 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7VY6
Type
protein
Length
939 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid protein VP1; Capsid protein VP2; Capsid protein VP3; Capsid protein VP4…
UniProt
P08174
Ligands
PLM
Pockets
11 · best druggability 0.79

Structure

electron microscopy · 5 distinct chains · 8% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACapsid protein VP1protein2688% helix, 31% strand—
BCapsid protein VP2protein2559% helix, 38% strand—
CCapsid protein VP3protein23811% helix, 29% strand—
DCapsid protein VP4protein570% helix, 12% strand—
EComplement decay-accelerating factorprotein1212% helix, 32% strandP08174

Ligands and binding sites

  • PLM · Palmitic acid · ligand · chains A

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

Pockets

11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16130.790.8484PLM
25440.700.7975empty
31670.490.7723empty
41370.480.7828empty
5840.440.8023empty

Interfaces

9 interfaces between chains.

  • A–C · 4331 Ų buried · 54 hydrogen bonds · protein-protein
  • A–B · 2110 Ų buried · 27 hydrogen bonds · protein-protein
  • B–C · 1599 Ų buried · 14 hydrogen bonds · protein-protein
  • A–D · 1143 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 918 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 7VY6 · Coxsackievirus B3(VP3-234N) incubate with CD55 at pH7.4 · the same entry in another collection · chain A against A, TM-score 1.00
  • P08174 · AlphaFold monomer V2.0 prediction for complement decay-accelerating factor (P08174) · a predicted model of the same protein · chain E against A, TM-score 0.90

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