Structure of PDB 2clp Chain G Binding Site BS02

Receptor Information

>2clp Chain G (length=323) Species: 9606 (Homo sapiens)

RPATVLGAMEMGRRMDAPTSAAVTRAFLERGHTEIDTAFVYSEGQSETIL
GGLGLRLGGSDCRVKIDTKAIPLFGNSLKPDSLRFQLETSLKRLQCPRVD
LFYLHMPDHSTPVEETLRACHQLHQEGKFVELGLSNYAAWEVAEICTLCK
SNGWILPTVYQGMYNAITRQVETELFPCLRHFGLRFYAFNPLAGGLLTGK
YKYEDKDGKQPVGRFFGNTWAEMYRNRYWKEHHFEGIALVEKALQAAYGA
SAPSMTSATLRWMYHHSQLQGAHGDAVILGMSSLEQLEQNLAAAEEGPLE
PAVVDAFNQAWHLVAHECPNYFR

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: 2clp Chain G Residue 1362

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2clp Crystal Structure of Human Aflatoxin B1 Aldehyde Reductase Member 3
• Resolution: 3.0 Å
• Binding residue (original residue number in PDB): H269 E272
• Binding residue (residue number reindexed from 1): H232 E235
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D73 Y78 P109 H142
• Catalytic site (residue number reindexed from 1): D36 Y41 P72 H105
• Enzyme Commision number: 1.-.-.-

Gene Ontology

Molecular Function

• GO:0004033 aldo-keto reductase (NADPH) activity
• GO:0005515 protein binding
• GO:0009055 electron transfer activity
• GO:0016491 oxidoreductase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0006081 cellular aldehyde metabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005794 Golgi apparatus
• GO:0005829 cytosol
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:2clp, PDBe:2clp, PDBj:2clp
• PDBsum: 2clp
• UniProt: O95154|ARK73_HUMAN Aflatoxin B1 aldehyde reductase member 3 (Gene Name=AKR7A3)