Structure of PDB 1yzx Chain A Binding Site BS01

Receptor Information
>1yzx Chain A (length=218) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPRTVELFYDVLSPYSWLGFEILCRYQNIWNINLQLRPSLITGIMKDSGN
KPPGLLPRKGLYMANDLKLLRHHLQIPIHFPKDFLSVMLEKGSLSAMRFL
TAVNLEHPEMLEKASRELWMRVWSRNEDITEPQSILAAAEKAGMSAEQAQ
GLLEKIATPKVKNQLKETTEAACRYGAFGLPITVAHVDGQTHMLFGSDRM
ELLAHLLGEKWMGPIPPA
Ligand information
Ligand IDGSF
InChIInChI=1S/C10H17N3O8S/c11-5(10(18)19)1-2-7(14)13-6(4-22(20)21)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21)/t5-,6-/m0/s1
InChIKeyDMAPAHUEYHXRFI-WDSKDSINSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5C(CC(=O)N[C@@H](C[S@@](=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
OpenEye OEToolkits 1.7.5C(CC(=O)NC(CS(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
CACTVS 3.385N[C@@H](CCC(=O)N[C@@H](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
ACDLabs 10.04O=C(NC(C(=O)NCC(=O)O)CS(=O)O)CCC(C(=O)O)N
CACTVS 3.385N[CH](CCC(=O)N[CH](C[S](O)=O)C(=O)NCC(O)=O)C(O)=O
FormulaC10 H17 N3 O8 S
NameL-GAMMA-GLUTAMYL-3-SULFINO-L-ALANYLGLYCINE;
GLUTATHIONE SULFINATE
ChEMBL
DrugBankDB04700
ZINCZINC000012504471
PDB chain1yzx 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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PDB1yzx Thioredoxin-like domain of human kappa class glutathione transferase reveals sequence homology and structure similarity to the theta class enzyme
Resolution1.93 Å
Binding residue
(original residue number in PDB)		S16 P17 Y18 I44 N53 G182 L183 F198 G199 S200 D201
Binding residue
(residue number reindexed from 1)		S13 P14 Y15 I41 N50 G179 L180 F195 G196 S197 D198
Annotation score2
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0004602 glutathione peroxidase activity
GO:0005515 protein binding
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
Biological Process
GO:0006749 glutathione metabolic process
GO:0030855 epithelial cell differentiation
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005739 mitochondrion
GO:0005759 mitochondrial matrix
GO:0005777 peroxisome
GO:0005782 peroxisomal matrix
GO:0005829 cytosol
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle
GO:0070062 extracellular exosome

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Molecular Function
View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:1yzx, PDBe:1yzx, PDBj:1yzx
PDBsum1yzx
PubMed16081649
UniProtQ9Y2Q3|GSTK1_HUMAN Glutathione S-transferase kappa 1 (Gene Name=GSTK1)

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