Structure of PDB 7opz Chain C Binding Site BS01

Receptor Information
>7opz Chain C (length=217) Species: 9838 (Camelus dromedarius) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PMILGYWDIRGLAHAIRLLLEYTGSDYEEKIYSMGDAPDYDRSQWLSEKF
KLGLDFPNLPYLIDGAHRLTQSNAILRYIARKHNLCGETEEEKIRVDVLE
NQAMDTRLDFARVCYNPDFEKLKPGFLKEIPEKMKLFSEFLGKRTWFAGD
KLNYVDFLAYDVLDVYRIFEPKCLDEFPNLKDFMSRFEGLKKISAYMKSS
RFLRSPLFLKMAMWGNK
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 chain7opz Chain C Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7opz Structural and Functional Characterization of Camelus dromedarius Glutathione Transferase M1-1.
Resolution2.55 Å
Binding residue
(original residue number in PDB)		W7 W45 K49 N58 L59 Q71 S72
Binding residue
(residue number reindexed from 1)		W7 W45 K49 N58 L59 Q71 S72
Annotation score4
Enzymatic activity
Enzyme Commision number 2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016740 transferase activity
GO:0042802 identical protein binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006749 glutathione metabolic process
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7opz, PDBe:7opz, PDBj:7opz
PDBsum7opz
PubMed35054499
UniProtG9B5E4

[Back to BioLiP]