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Structure of PDB 7pka Chain A Binding Site BS01

Receptor Information
>7pka Chain A (length=183) Species: 1148 (Synechocystis sp. PCC 6803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIKLYGAPQSRASIIQWYLEELSLPYEFVNVNLKEGEHRQAPYLAINPFG
KVPAIADGNFHLWESGAILLYLAEKASTIPADAQARALVNQWILFANSTL
ANGLFIEAVREKEMPRLLQSLEKILGRSPFILGEKFSVVDVAVGSILAYV
PIMLKLNFDDYPAVAAYVQGLVQRPAFQASIGA
Ligand information
Ligand IDGS8
InChIInChI=1S/C10H17N3O7S/c11-5(10(18)19)1-2-7(14)13-6(4-21-20)9(17)12-3-8(15)16/h5-6,20H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)/t5-,6-/m0/s1
InChIKeyPFXSQLOWBQWLCX-WDSKDSINSA-N
SMILES
SoftwareSMILES
CACTVS 3.385N[C@@H](CCC(=O)N[C@@H](CSO)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.9.2C(CC(=O)NC(CSO)C(=O)NCC(=O)O)C(C(=O)O)N
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CSO
OpenEye OEToolkits 1.9.2C(CC(=O)N[C@@H](CSO)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.385N[CH](CCC(=O)N[CH](CSO)C(=O)NCC(O)=O)C(O)=O
FormulaC10 H17 N3 O7 S
NameS-Hydroxy-Glutathione
ChEMBL
DrugBank
ZINCZINC000219973738
PDB chain7pka Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7pka Structure and functions of glutathione transferase Chi 1 from cyanobacterium Synechocystis sp. PCC 6803
Resolution2.16 Å
Binding residue
(original residue number in PDB)		R11 L33 H38 K51 V52 E64 S65
Binding residue
(residue number reindexed from 1)		R11 L33 H38 K51 V52 E64 S65
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0043295 glutathione binding
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links

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