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MolNFT v1 · #58555 · protein

Complex of S52A substituted droposphila lush protein with ethanol

3B7A · General odorant-binding protein lush: “Complex of S52A substituted droposphila lush protein with ethanol”. X-ray diffraction, 4 pockets (best druggability 0.81). MolNFT v1 #58555 on GenesisL1: 3D structure, binding sites and pockets…

PDB
3B7A
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
Pockets
4 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 65% helix, 2% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGeneral odorant-binding protein lushprotein12465% helix, 2% strandO02372

Ligands and binding sites

  • ACT · Acetate ion · additive · 5 copies · chains A, B
  • EOH · Ethanol · 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, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12090.810.9434empty
22220.800.9235EOH
32260.590.8042ACT
4590.360.7812empty

Interfaces

1 interface between chains.

  • A–B · 702 Ų buried · 6 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 3B7A · Complex of S52A Substituted Droposphila 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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