Structure of PDB 8ax0 Chain A Binding Site BS01

Receptor Information
>8ax0 Chain A (length=241) Species: 5325 (Trametes versicolor) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TKQITLYTATFSPYAHRVRIALEEAGAEYTTYDVDILRNMPDWFPLVNPL
KKIPAMTFGGPEVPPDQPSPESAKIAESLAMLEFIADLFPDAKLLPTDPV
LRARARTFMALYENYVNGQFRDVWFLGTPADPLLQALEMLQGALPPDGGF
AAGEWSIADAAVIPFLARMFPYLEAGLGLYSKEDGVKMRKAMASERFARI
RQYVRDCRARPSFANTWAGDAEQVEAAKTVPMLRVGEHHHH
Ligand information
Ligand IDNT3
InChIInChI=1S/5CN.Fe.HNO/c5*1-2;;1-2/h;;;;;;2H/q5*-1;+2;/p+1
InChIKeyFXHPAMQNLMZRAK-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.385[Fe++].[C-]#N.[C-]#N.[C-]#N.[C-]#N.[C-]#N.N#[OH+]
OpenEye OEToolkits 3.1.0.0[C-](#N)[Fe+2]([C-]#N)([C-]#N)([C-]#N)([C-]#N)[N]#[OH+]
FormulaC5 H Fe N6 O
NameNitroprusside ion
ChEMBL
DrugBank
ZINC
PDB chain8ax0 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ax0 Structural insights into the interactions of glutathione transferases with a nitric oxide carrier and sodium nitroprusside.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		F14 Y17 R124 F128 V233
Binding residue
(residue number reindexed from 1)		F11 Y14 R121 F125 V230
Annotation score1
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:8ax0, PDBe:8ax0, PDBj:8ax0
PDBsum8ax0
PubMed36758482
UniProtA0A384E145

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