Structure of PDB 5d9x Chain A Binding Site BS01

Receptor Information
>5d9x Chain A (length=211) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GVEVCVKAAVGHPDTLGDSPFSQRVLLTLEEKKVPYEMKLIDVQNKPDWF
LKISPEGKVPVFNGGDGKWIPDSDVITQVIEEKYPTPSLVTPPEYASVGS
KIFSCFTTFLKSKDPNDGSEKALLTELQALEEHLKAHGPFINGQNISAAD
LSLAPKLYHLQVALEHFKGWKIPEDLTNVHAYTEALFSRESFIKTKAAKE
HLIAGWAPKVN
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 chain5d9x Chain A Residue 301 [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]
PDB5d9x Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
Resolution1.68 Å
Binding residue
(original residue number in PDB)		D19 F104 T108 K112 G206 W207 K210
Binding residue
(residue number reindexed from 1)		D18 F103 T107 K111 G205 W206 K209
Annotation score4
Enzymatic activity
Enzyme Commision number 1.8.5.1: glutathione dehydrogenase (ascorbate).
2.5.1.18: glutathione transferase.
Gene Ontology
Molecular Function
GO:0004364 glutathione transferase activity
GO:0016491 oxidoreductase activity
GO:0016740 transferase activity
GO:0045174 glutathione dehydrogenase (ascorbate) activity
Biological Process
GO:0009636 response to toxic substance
GO:0033355 ascorbate glutathione cycle
GO:0098869 cellular oxidant detoxification
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5d9x, PDBe:5d9x, PDBj:5d9x
PDBsum5d9x
PubMed26775680
UniProtQ65XA0|DHAR1_ORYSJ Probable glutathione S-transferase DHAR1, cytosolic (Gene Name=DHAR1)

[Back to BioLiP]