Structure of PDB 5zwp Chain B Binding Site BS01

Receptor Information
>5zwp Chain B (length=207) Species: 7370 (Musca domestica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MDFYYLPGSAPCRSVLMTAKALGIELNKKLLNLQAGEHLKPEFLKINPQH
TIPTLVDGDFALWESRAIMVYLVEKYGKTDSLFPKCPKKRAVINQRLYFD
MGTLYKSFADYYYPQIFAKAPADPELFKKIETAFDFLNTFLKGHEYAAGD
SLTVADLALLASVSTFEVASFDISKYPNVAKWYANLKTVAPGWEENWAGC
LEFKKYF
Ligand information
Ligand IDGSH
InChIInChI=1S/C10H17N3O6S/c11-5(10(18)19)1-2-7(14)13-6(4-20)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
InChIKeyRWSXRVCMGQZWBV-WDSKDSINSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=C(NCC(=O)O)C(NC(=O)CCC(C(=O)O)N)CS
OpenEye OEToolkits 1.7.6C(CC(=O)N[C@@H](CS)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
CACTVS 3.370N[CH](CCC(=O)N[CH](CS)C(=O)NCC(O)=O)C(O)=O
CACTVS 3.370N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(O)=O)C(O)=O
OpenEye OEToolkits 1.7.6C(CC(=O)NC(CS)C(=O)NCC(=O)O)C(C(=O)O)N
FormulaC10 H17 N3 O6 S
NameGLUTATHIONE
ChEMBLCHEMBL1543
DrugBankDB00143
ZINCZINC000003830891
PDB chain5zwp Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5zwp Crystal structure of the delta-class glutathione transferase in Musca domestica
Resolution1.4 Å
Binding residue
(original residue number in PDB)		H38 H50 T51 I52 E64 S65 M101
Binding residue
(residue number reindexed from 1)		H38 H50 T51 I52 E64 S65 M101
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
Biological Process
GO:0006749 glutathione metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5zwp, PDBe:5zwp, PDBj:5zwp
PDBsum5zwp
PubMed29803675
UniProtP28338|GSTT1_MUSDO Glutathione S-transferase 1 (Gene Name=Gst1)

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