Structure of PDB 2fog Chain A Binding Site BS02

Receptor Information

>2fog Chain A (length=240) Species: 9823 (Sus scrofa)

VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRE
LTFRVVVGEHNLNQNNGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLA
QSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYL
PTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQY
AVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN

Ligand information

• Ligand ID: ETF
• InChI: InChI=1S/C2H3F3O/c3-2(4,5)1-6/h6H,1H2
• InChIKey: RHQDFWAXVIIEBN-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: OCC(F)(F)F
  ACDLabs 10.04: FC(F)(F)CO
  OpenEye OEToolkits 1.5.0: C(C(F)(F)F)O
• Formula: C2 H3 F3 O
• Name: TRIFLUOROETHANOL
• ChEMBL: CHEMBL116675
• DrugBank: DB03226
• ZINC: ZINC000003860799
• PDB chain: 2fog Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2fog Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): C199 Q200 S203 T221 F223
• Binding residue (residue number reindexed from 1): C184 Q185 S188 T206 F208
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H60 D108 Q200 G201 D202 S203 G204
• Catalytic site (residue number reindexed from 1): H45 D93 Q185 G186 D187 S188 G189
• 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:2fog, PDBe:2fog, PDBj:2fog
• PDBsum: 2fog
• PubMed: 16488429
• UniProt: P00772|CELA1_PIG Chymotrypsin-like elastase family member 1 (Gene Name=CELA1)