Structure of PDB 5agy Chain A Binding Site BS02
Receptor Information
>5agy Chain A (length=219) Species:
3847
(Glycine max) [
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MQDEVVLLDFWPSPFGMRVRIALAEKGIKYEYKEEDLQNKSPLLLKMNPV
HKKIPVLIHNGKPICESLIAVQYIEEVWNDRNPLLPSDPYQRAQTRFWAD
YVDKKIYDLGRKICTSKGEEKEAAKKEFIEALKLLEEQLGDKTYFGGDNL
GFVDIALVPFYTWFKAYETFGTLNIESECPKFVAWAKRCLQKESVAKSLP
DQQKVYEFIMDLRKKLGIE
Ligand information
Ligand ID
4NM
InChI
InChI=1S/C7H7NO2S/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4H,5H2,(H-,9,10,11)/p+1
InChIKey
OTHKGVFNUSHUQO-UHFFFAOYSA-O
SMILES
Software
SMILES
ACDLabs 10.04
O=[N+](O)c1ccc(cc1)CS
OpenEye OEToolkits 1.5.0
c1cc(ccc1CS)[N+](=O)O
CACTVS 3.341
O[N+](=O)c1ccc(CS)cc1
Formula
C7 H8 N O2 S
Name
4-NITROPHENYL METHANETHIOL
ChEMBL
DrugBank
ZINC
PDB chain
5agy Chain A Residue 1221 [
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Receptor-Ligand Complex Structure
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PDB
5agy
Directed Evolution of Tau Class Glutathione Transferases Reveals a Site that Regulates Catalytic Efficiency and Masks Cooperativity.
Resolution
1.75 Å
Binding residue
(original residue number in PDB)
Y107 T115 W163 L212
Binding residue
(residue number reindexed from 1)
Y107 T115 W163 L212
Annotation score
1
Enzymatic activity
Enzyme Commision number
2.5.1.18
: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364
glutathione transferase activity
GO:0016740
transferase activity
Biological Process
GO:0006749
glutathione metabolic process
Cellular Component
GO:0005737
cytoplasm
GO:0005829
cytosol
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Molecular Function
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Biological Process
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Cellular Component
External links
PDB
RCSB:5agy
,
PDBe:5agy
,
PDBj:5agy
PDBsum
5agy
PubMed
26637269
UniProt
I1MJ34
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