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Crystallographic structure of psoe with co

Analyse Crystallographic structure of psoe with co in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5F8B
Type
protein
Length
215 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutathione S-transferase, putative
UniProt
Q4WB03
Ligands
GSH, PZS, CO
Pockets
3 · best druggability 0.49

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 7% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutathione S-transferase, putativeprotein21551% helix, 7% strandQ4WB03

Ligands and binding sites

  • GSH · Glutathione · ligand · chains A
  • PZS · (5~{S},8~{S},9~{R})-2-[(~{E})-hex-1-enyl]-8-methoxy-3-methyl-9-oxidanyl-8-(phenylcarbonyl)-1-oxa-7-azaspiro[4.4]non-2-ene-4,6-dione · ligand · chains A
  • CO · Cobalt (II) ion · metal · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11290.490.7917empty
21530.420.7430GSH
3740.360.7615empty

Compared structures

  • 5F8B · Crystallographic Structure of PsoE with Co · the same entry in another collection · chain A against A, TM-score 1.00
  • Q4WB03 · AlphaFold monomer V2.0 prediction for glutathione S-transferase psoe (Q4WB03) · a predicted model of the same protein · chain A against A, TM-score 0.99

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