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MolNFT v1 · #143349 · protein

Structure of peanut allergen ara H 8.01.

6AWY · Ara H 8 allergen: “Structure of peanut allergen ara H 8.01.”. X-ray diffraction, 2 ligands (NA, SO4), 3 pockets (best druggability 0.79). MolNFT v1 #143349 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6AWY
Type
protein
Length
312 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ara H 8 allergen
UniProt
Q6VT83
Ligands
NA, SO4
Pockets
3 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 28% helix, 46% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BAra H 8 allergenprotein15628% helix, 46% strandQ6VT83

Ligands and binding sites

  • NA · Sodium ion · metal · chains B
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13030.790.9042SO4
25690.750.8251SO4
31610.440.7531empty

Interfaces

1 interface between chains.

  • A–B · 739 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6AWY · Structure of peanut allergen Ara h 8.01. · the same entry in another collection · chain A against A, TM-score 1.00

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