Structure of PDB 8est Chain E Binding Site BS01

Receptor Information

>8est Chain E (length=240) Species: 9823 (Sus scrofa)

VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRE
LTFRVVVGEHNLNQNNGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLA
QSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYL
PTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQY
AVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN

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: 8est Chain E Residue 248

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8est Reaction of porcine pancreatic elastase with 7-substituted 3-alkoxy-4-chloroisocoumarins: design of potent inhibitors using the crystal structure of the complex formed with 4-chloro-3-ethoxy-7-guanidinoisocoumarin.
• Resolution: 1.78 Å
• Binding residue (original residue number in PDB): E70 N72 Q75 N77 E80
• Binding residue (residue number reindexed from 1): E59 N61 Q64 N66 E69
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.21.36: pancreatic elastase.

Gene Ontology

Molecular Function

• GO:0004252 serine-type endopeptidase activity
• GO:0005515 protein binding
• GO:0008236 serine-type peptidase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space

External links

• PDB: RCSB:8est, PDBe:8est, PDBj:8est
• PDBsum: 8est
• PubMed: 2337582
• UniProt: P00772|CELA1_PIG Chymotrypsin-like elastase family member 1 (Gene Name=CELA1)