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MolNFT v1 · #179323 · protein

Murine polyomavirus hexavalent capsomer, subparticle reconstruction

7K25 · Capsid protein VP1: “Murine polyomavirus hexavalent capsomer, subparticle reconstruction”. Electron microscopy, 20 pockets (best druggability 0.74). MolNFT v1 #179323 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7K25
Type
protein
Length
1,796 residues
Chains
5
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid protein VP1
UniProt
A0A247D727
Pockets
20 · best druggability 0.74

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
ACapsid protein VP1protein3666% helix, 31% strandA0A247D727
BCapsid protein VP1protein3678% helix, 32% strandA0A247D727
CCapsid protein VP1protein3579% helix, 31% strandA0A247D727
DCapsid protein VP1protein34010% helix, 32% strandA0A247D727
ECapsid protein VP1protein3668% helix, 31% strandA0A247D727

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11000.740.9628empty
21120.740.9526empty
38060.730.7877empty
47350.720.7877empty
57230.720.7875empty

Interfaces

5 interfaces between chains.

  • B–C · 3179 Ų buried · 32 hydrogen bonds · protein-protein
  • A–B · 2816 Ų buried · 25 hydrogen bonds · protein-protein
  • A–E · 2809 Ų buried · 29 hydrogen bonds · protein-protein
  • D–E · 2719 Ų buried · 27 hydrogen bonds · protein-protein
  • C–D · 2713 Ų buried · 26 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 7K25 · Murine polyomavirus hexavalent capsomer, subparticle reconstruction · the same entry in another collection · chain A against A, TM-score 1.00

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