Structure of PDB 8ax1 Chain B Binding Site BS02

Receptor Information

>8ax1 Chain B (length=241) Species: 5325 (Trametes versicolor)

TKQITLYTATFSPYAHRVRIALEEAGAEYTTYDVDILRNMPDWFPLVNPL
KKIPAMTFGGPEVPPDQPSPESAKIAESLAMLEFIADLFPDAKLLPTDPV
LRARARTFMALYENYVNGQFRDVWFLGTPADPLLQALEMLQGALPPDGGF
AAGEWSIADAAVIPFLARMFPYLEAGLGLYSKEDGVKMRKAMASERFARI
RQYVRDCRARPSFANTWAGDAEQVEAAKTVPMLRVGEHHHH

Ligand information

• Ligand ID: ODU
• InChI: InChI=1S/4NO2.NO.H2O.Ru/c4*2-1-3;1-2;;/h;;;;;1H2;/q;;;;-1;;/p-1
• InChIKey: YJGPUQROXYARAA-UHFFFAOYSA-M
• SMILES:
  OpenEye OEToolkits 3.1.0.0: N(=O)[Ru-2]([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])([N+](=O)[O-])O
  CACTVS 3.385: O[Ru--](N=O)([N+]([O-])=O)([N+]([O-])=O)([N+]([O-])=O)[N+]([O-])=O
• Formula: H N5 O10 Ru
• Name: tetranitro-nitroso-oxidanyl-ruthenium(2-);
  hydroxy-tetranitro-nitrosyl-ruthenate
• PDB chain: 8ax1 Chain B Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8ax1 Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): F14 S15 Y17 I39 K55 I56
• Binding residue (residue number reindexed from 1): F11 S12 Y14 I36 K52 I53
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.18: glutathione transferase.

Gene Ontology

Molecular Function

• GO:0004364 glutathione transferase activity
• GO:0046872 metal ion binding

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8ax1, PDBe:8ax1, PDBj:8ax1
• PDBsum: 8ax1
• PubMed: 36758482
• UniProt: A0A384E145