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MolNFT v1 · #61865 · protein

Crystal structure of AED7 potassium bromide soak

3DY9 · D7 protein: “Crystal structure of AED7 potassium bromide soak”. X-ray diffraction, 1 ligand (BR), 3 pockets (best druggability 0.72). MolNFT v1 #61865 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3DY9
Type
protein
Length
298 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
D7 protein
UniProt
P18153
Ligands
BR
Pockets
3 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 58% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AD7 proteinprotein29858% helix, 3% strandP18153

Ligands and binding sites

  • BR · Bromide ion · ion · 8 copies · chains A
  • GOL · Glycerol · additive · 4 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13100.720.8443BR, GOL
21090.570.8417TRS, GOL
33040.560.7631GOL

Modifications

Observed in the structure: 5 disulfide (disulfide).

Compared structures

  • 3DY9 · Crystal structure of AeD7 potassium bromide soak · the same entry in another collection · chain A against A, TM-score 1.00
  • P18153 · AlphaFold monomer V2.0 prediction for 37 kda salivary gland allergen aed a 2 (P18153) · a predicted model of the same protein · chain A against A, TM-score 0.98

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