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MolNFT v1 · #53148 · protein

Putative thiosulfate sulfurtransferase ynje

2WLX: “Putative thiosulfate sulfurtransferase ynje”. X-ray diffraction, 4 pockets (best druggability 0.54). MolNFT v1 #53148 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
2WLX
Type
protein
Length
407 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative thiosulfate sulfurtransferase ynje
EC
2.8.1.1
UniProt
P78067
Pockets
4 · best druggability 0.54

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative thiosulfate sulfurtransferase ynje (EC 2.8.1.1)protein40733% helix, 17% strandP78067

Ligands and binding sites

  • EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · 2 copies · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12340.540.7737empty
21220.470.7816empty
3940.380.7615EPE
4880.340.7417empty

Modifications

Observed in the structure: 1 modified (oxidation).

Compared structures

  • 2WLX · Putative thiosulfate sulfurtransferase YnjE · the same entry in another collection · chain A against A, TM-score 1.00
  • P78067 · AlphaFold monomer V2.0 prediction for thiosulfate sulfurtransferase ynje (P78067) · a predicted model of the same protein · chain A against A, TM-score 1.00

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