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Complex of T57A substituted drosophila lush protein with ethanol

Analyse Complex of T57A substituted drosophila lush protein with ethanol in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3B88
Type
protein
Length
248 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
General odorant-binding protein lush
UniProt
O02372
Ligands
ETE
Pockets
4 · best druggability 0.79

Structure

x-ray diffraction · 1 distinct chain · 68% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGeneral odorant-binding protein lushprotein12468% helix, 2% strandO02372

Ligands and binding sites

  • ETE · 2-{2-[2-2-(methoxy-ethoxy)-ethoxy]-ethoxy}-ethanol · ligand · 2 copies · chains A, B
  • ACT · Acetate ion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12230.790.9232ACT, ETE
22870.760.8837ETE
31380.450.7627empty
4960.350.7424empty

Interfaces

1 interface between chains.

  • A–B · 226 Ų buried · 3 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3B88 · Complex of T57A Substituted Drosophila LUSH Protein with Ethanol · the same entry in another collection · chain A against A, TM-score 1.00
  • O02372 · AlphaFold monomer V2.0 prediction for general odorant-binding protein lush (O02372) · a predicted model of the same protein · chain A against A, TM-score 1.00

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