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MolNFT v1 · #6108 · protein

Rice yellow mottle virus

1F2N · Capsid protein: “Rice yellow mottle virus”. X-ray diffraction, 1 ligand (CA), 1 pocket (best druggability 0.79). MolNFT v1 #6108 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1F2N
Type
protein
Length
590 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Capsid protein
UniProt
Q86527
Ligands
CA
Pockets
1 · best druggability 0.79

Structure

x-ray diffraction · 2 distinct chains · 14% helix, 35% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCapsid proteinprotein18915% helix, 35% strandQ86527
CCapsid proteinprotein21213% helix, 35% strandQ86527

Ligands and binding sites

  • CA · Calcium ion · metal · 3 copies · chains A, B, C

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
16250.790.8451empty

Interfaces

3 interfaces between chains.

  • B–C · 1381 Ų buried · 29 hydrogen bonds · protein-protein
  • A–B · 922 Ų buried · 26 hydrogen bonds · protein-protein
  • A–C · 895 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 1F2N · Rice yellow mottle virus · the same entry in another collection · chain A against A, TM-score 1.00

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