GL1X · GenesisL1 explorer

MolNFT v1 · #152719 · protein

P domain of GII.3-TV24

6IR5 · VP1 capsid protein: “P domain of GII.3-TV24”. X-ray diffraction, 15 pockets (best druggability 0.79). MolNFT v1 #152719 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6IR5
Type
protein
Length
1,209 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
VP1 capsid protein
UniProt
Q66296
Pockets
15 · best druggability 0.79

Structure

x-ray diffraction · 4 distinct chains · 7% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVP1 capsid proteinprotein3016% helix, 36% strandQ66296
BVP1 capsid proteinprotein3026% helix, 36% strandQ66296
CVP1 capsid proteinprotein3046% helix, 36% strandQ66296
DVP1 capsid proteinprotein3027% helix, 36% strandQ66296

Pockets

15 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11270.790.9741empty
21290.780.9645empty
39700.730.77110empty
41850.680.8728empty
52000.650.8428empty

Interfaces

3 interfaces between chains.

  • A–C · 1845 Ų buried · 29 hydrogen bonds · protein-protein
  • B–D · 1806 Ų buried · 27 hydrogen bonds · protein-protein
  • C–D · 782 Ų buried · 3 hydrogen bonds · protein-protein

Compared structures

  • 6IR5 · P domain of GII.3-TV24 · the same entry in another collection · chain A against A, TM-score 1.00

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