Structure of PDB 7cyi Chain A Binding Site BS01

Receptor Information

>7cyi Chain A (length=375) Species: 35608 (Artemisia annua)

PGVITCKAAVVWESSGPVVLEEIRVDPPKASEVRIKMLCASLCHTDVLCT
KGFPIPLFPRIPGHEGVGVIESIGKDAKGLKPGDIVMPLYLGECGQCLNC
KTGKTNLCHVYPPSFSGLMNDGTSRMSIARTGESIYHFASCSTWTEYAVA
DCNYVLKINPKISYPHASFLSCGFTTGFGATWRETQVSKGSSVAVFGIGT
VGLGVIKGAQLQGASKIIGVDVNQYKAAKGKVFGMTDFINPKDHPDKSVS
ELVKELTHGLGVDHCFECTGVPSLLNEALEASKIGIGTVVPIGAGGEASV
AINSLILFSGRTLKFTAFGGVRTQSDLPVIIDKCLNKEIQLDELLTHEIH
LDNIQEAFEILKKPDCVKILIKFLE

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 7cyi Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7cyi Crystal structure of Alcohol dehydrogenase 1 from Artemisia annua
• Resolution: 2.95 Å
• Binding residue (original residue number in PDB): C48 H69 E70 C177
• Binding residue (residue number reindexed from 1): C43 H64 E65 C172
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.1.1.-

Gene Ontology

Molecular Function

• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0046872 metal ion binding
• GO:0051903 S-(hydroxymethyl)glutathione dehydrogenase [NAD(P)+] activity

Biological Process

• GO:0046294 formaldehyde catabolic process

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:7cyi, PDBe:7cyi, PDBj:7cyi
• PDBsum: 7cyi
• UniProt: A0A2U1Q018|ADH1_ARTAN Alcohol dehydrogenase 1 (Gene Name=ADH1)