Structure of PDB 5evo Chain A Binding Site BS02

Receptor Information

>5evo Chain A (length=213) Species: 4543 (Cenchrus americanus)

HMAVEVCVKAAVGAPDILGDCPFSQRVLLTLEEKKITYEMKLVDLSNKPE
WFLKISPEGKVPVFNSGDGKWIADSDVITQVIEEKFPTPSLVTPPEYASV
GSKIFPSFVKFLKSKDASDGSEKALLDELQALDEHLKAHGPYISGENVSA
ADLSLGPKLFHLQVALEHFKGWKIPENLTSVHAYTKALFSRESFVKTKPA
NQYLIAGWAPKVN

Ligand information

• Ligand ID: GOL
• InChI: InChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
• InChIKey: PEDCQBHIVMGVHV-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.7.0: C(C(CO)O)O
  ACDLabs 12.01
  CACTVS 3.370: OCC(O)CO
• Formula: C3 H8 O3
• Name: GLYCEROL;
  GLYCERIN;
  PROPANE-1,2,3-TRIOL
• ChEMBL: CHEMBL692
• DrugBank: DB09462
• ZINC: ZINC000000895048
• PDB chain: 5evo Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5evo Non-native ligands define the active site of Pennisetum glaucum (L.) R. Br dehydroascorbate reductase.
• Resolution: 2.51 Å
• Binding residue (original residue number in PDB): D19 G206 K210
• Binding residue (residue number reindexed from 1): D20 G207 K211
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.8.5.1: glutathione dehydrogenase (ascorbate).

Gene Ontology

Molecular Function

• GO:0004364 glutathione transferase activity
• GO:0016491 oxidoreductase activity
• GO:0045174 glutathione dehydrogenase (ascorbate) activity

Biological Process

• GO:0010731 protein glutathionylation
• GO:0033355 ascorbate glutathione cycle
• GO:0098869 cellular oxidant detoxification

External links

• PDB: RCSB:5evo, PDBe:5evo, PDBj:5evo
• PDBsum: 5evo
• PubMed: 27067046
• UniProt: U5XYA0