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MolNFT v1 · #58119 · protein

Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: implication for suppression of protein aggregation

3ATO · Lysozyme C: “Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: implication for suppression of protein…”. X-ray diffraction, 3 ligands (GEE, NA, CL), 1 pocket (best druggability 0.33). MolNFT v1 #58119 on GenesisL1…

PDB
3ATO
Type
protein
Length
129 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lysozyme C
EC
3.2.1.17
UniProt
P00698
Ligands
GEE, NA, CL
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALysozyme C (EC 3.2.1.17)protein12941% helix, 11% strandP00698

Ligands and binding sites

  • GEE · ethyl glycinate · ligand · 3 copies · chains A
  • NA · Sodium ion · metal · chains A
  • CL · Chloride ion · ion · 10 copies · 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
1550.330.7714GEE

Modifications

Observed in the structure: 4 disulfide (disulfide).

Compared structures

  • 3ATO · Glycine ethyl ester shielding on the aromatic surfaces of lysozyme: Implication for… · the same entry in another collection · chain A against A, TM-score 1.00
  • P00698 · AlphaFold monomer V2.0 prediction for lysozyme C (P00698) · a predicted model of the same protein · chain A against A, TM-score 0.99

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