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MolNFT v1 · #48515 · protein

Crystal structure of ochrobactrum anthropi glutathione transferase CYS10ALA mutant with glutathione bound at the H-site

2PVQ · Glutathione S-transferase: “Crystal structure of ochrobactrum anthropi glutathione transferase CYS10ALA mutant with glutathione bound at…”. X-ray diffraction, 2 ligands (GSH, SO4), 2 pockets (best druggability 0.41). MolNFT v1…

PDB
2PVQ
Type
protein
Length
201 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glutathione S-transferase
EC
2.5.1.18
UniProt
P81065
Ligands
GSH, SO4
Pockets
2 · best druggability 0.41

Structure

x-ray diffraction · 1 distinct chain · 53% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlutathione S-transferase (EC 2.5.1.18)protein20153% helix, 11% strandP81065

Ligands and binding sites

  • GSH · Glutathione · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · chains A

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11440.410.7424GSH
2500.300.7613empty

Compared structures

  • 2PVQ · Crystal structure of Ochrobactrum anthropi glutathione transferase Cys10Ala mutant with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P81065 · AlphaFold monomer V2.0 prediction for glutathione S-transferase (P81065) · a predicted model of the same protein · chain A against A, TM-score 1.00

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