Structure of PDB 3var Chain A Binding Site BS02

Receptor Information

>3var Chain A (length=414) Species: 9913 (Bos taurus)

GRARKEAVQAAARELLKFVNRSPSPFHAVAECRSRLLQAGFHELKETESW
DIKPESKYFLTRNSSTIIAFAVGGQYVPGNGFSLIGAHTDSPCLRVKRSQ
VGFQQVGVETYGGGIWSTWFDRDLTLAGRVIVEQRLVHVDRPILRIPHLA
IHLMEMHLVPILATSIQEELEKSVLTSLLCAHLGLSPEDILEMELCLADT
QPAVLGGAYEEFIFAPRLDNLHSCFCALQALIDSCSAPASLAADPHVRMI
ALYDNEEVGSESAQGAQSLLTELVLRRISASPQHLTAFEEAIPKSYMISA
DMAHAVHPNYLRPLFHKGPVIKVNSKQRYASNAVSEALIREVASSVGVPL
QDLTTIGPILASRLGLRVLDLGSPQLAMHSIRETACTTGVLQTITLFKGF
FELFPSLSRSLLVD

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: 3var Chain A Residue 502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3var Insights into substrate specificity and metal activation of Mammalian tetrahedral aspartyl aminopeptidase.
• Resolution: 2.25 Å
• Binding residue (original residue number in PDB): D285 E323 H461
• Binding residue (residue number reindexed from 1): D219 E257 H379
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.11.21: aspartyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0008237 metallopeptidase activity
• GO:0008270 zinc ion binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3var, PDBe:3var, PDBj:3var
• PDBsum: 3var
• PubMed: 22356908
• UniProt: Q2HJH1|DNPEP_BOVIN Aspartyl aminopeptidase (Gene Name=DNPEP)