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MolNFT v1 · #10776 · protein

Pokeweed antiviral protein from seeds (pap-S1) complexed with formycin

1J1S · Antiviral protein S: “Pokeweed antiviral protein from seeds (pap-S1) complexed with formycin”. X-ray diffraction, 2 ligands (FMP, NAG), 1 pocket (best druggability 0.41). MolNFT v1 #10776 on GenesisL1: 3D structure, binding sites…

PDB
1J1S
Type
protein
Length
261 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Antiviral protein S
EC
3.2.2.22
UniProt
P23339
Ligands
FMP, NAG
Pockets
1 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AAntiviral protein S (EC 3.2.2.22)protein26139% helix, 24% strandP23339

Ligands and binding sites

  • FMP · Formycin-5'-monophosphate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.410.7816FMP

Modifications

Observed in the structure: 2 disulfide, 1 glycan (disulfide, N-glycosylation).

Compared structures

  • 1J1S · Pokeweed Antiviral Protein from Seeds (PAP-S1) Complexed with Formycin · the same entry in another collection · chain A against A, TM-score 1.00
  • P23339 · AlphaFold monomer V2.0 prediction for antiviral protein S (P23339) · a predicted model of the same protein · chain A against A, TM-score 0.99

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