Structure of PDB 5d9v Chain A Binding Site BS02

Receptor Information

>5d9v Chain A (length=211) Species: 39947 (Oryza sativa Japonica Group)

MGVEVCVKAAVGHPDTLGDCPFSQRVLLTLEEKKVPYEMKLIDVQNKPDW
FLKISPEGKVPVFNGGDGKWIPDSDVITQVIEEKYPTPSLVTPPEYASVG
SKIFSCFTTFLKSKDPNDGSEKALLTELQALEEHLKAHGPFINGQNISAA
DLSLAPKLYHLQVALEHFKGWKIPEDLTNVHAYTEALFSRESFIKTKAAK
EHLIAGWAPKV

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 5d9v Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5d9v Structural understanding of the recycling of oxidized ascorbate by dehydroascorbate reductase (OsDHAR) from Oryza sativa L. japonica
• Resolution: 1.69 Å
• Binding residue (original residue number in PDB): H13 P14 D15 T16
• Binding residue (residue number reindexed from 1): H13 P14 D15 T16
• Annotation score: 1

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

External links

• PDB: RCSB:5d9v, PDBe:5d9v, PDBj:5d9v
• PDBsum: 5d9v
• PubMed: 26775680
• UniProt: Q65XA0|DHAR1_ORYSJ Probable glutathione S-transferase DHAR1, cytosolic (Gene Name=DHAR1)