Structure of PDB 1b2l Chain A Binding Site BS01

Receptor Information

>1b2l Chain A (length=254) Species: 7225 (Scaptodrosophila lebanonensis)

MDLTNKNVIFVAALGGIGLDTSRELVKRNLKNFVILDRVENPTALAELKA
INPKVNITFHTYDVTVPVAESKKLLKKIFDQLKTVDILINGAGILDDHQI
ERTIAINFTGLVNTTTAILDFWDKRKGGPGGIIANICSVTGFNAIHQVPV
YSASKAAVVSFTNSLAKLAPITGVTAYSINPGITRTPLVHTFNSWLDVEP
RVAELLLSHPTQTSEQCGQNFVKAIEANKNGAIWKLDLGTLEAIEWTKHW
DSHI

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: 1b2l Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1b2l The catalytic reaction and inhibition mechanism of Drosophila alcohol dehydrogenase: observation of an enzyme-bound NAD-ketone adduct at 1.4 A resolution by X-ray crystallography.
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): D2 T4
• Binding residue (residue number reindexed from 1): D2 T4
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N107 S138 Y151 K155
• Catalytic site (residue number reindexed from 1): N107 S138 Y151 K155
• Enzyme Commision number: 1.1.1.1: alcohol dehydrogenase.

Gene Ontology

Molecular Function

• GO:0004022 alcohol dehydrogenase (NAD+) activity
• GO:0016491 oxidoreductase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0006066 alcohol metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:1b2l, PDBe:1b2l, PDBj:1b2l
• PDBsum: 1b2l
• PubMed: 10366509
• UniProt: P10807|ADH_DROLE Alcohol dehydrogenase (Gene Name=Adh)