Structure of PDB 2fo9 Chain A Binding Site BS02

Receptor Information
>2fo9 Chain A (length=240) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVGGTEAQRNSWPSQISLQYRSGSSWAHTCGGTLIRQNWVMTAAHCVDRE
LTFRVVVGEHNLNQNNGTEQYVGVQKIVVHPYWNTDDVAAGYDIALLRLA
QSVTLNSYVQLGVLPRAGTILANNSPCYITGWGLTRTNGQLAQTLQQAYL
PTVDYAICSSSSYWGSTVKNSMVCAGGDGVRSGCQGDSGGPLHCLVNGQY
AVHGVTSFVSRLGCNVTRKPTVFTRVSAYISWINNVIASN
Ligand information
Ligand IDACN
InChIInChI=1S/C3H6O/c1-3(2)4/h1-2H3
InChIKeyCSCPPACGZOOCGX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)=O
ACDLabs 11.02O=C(C)C
OpenEye OEToolkits 1.7.0CC(=O)C
FormulaC3 H6 O
NameACETONE
ChEMBLCHEMBL14253
DrugBank
ZINCZINC000000895111
PDB chain2fo9 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2fo9 Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
Resolution2.0 Å
Binding residue
(original residue number in PDB)		C199 Q200 S203
Binding residue
(residue number reindexed from 1)		C184 Q185 S188
Annotation score1
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

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Biological Process
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Cellular Component
External links
PDB RCSB:2fo9, PDBe:2fo9, PDBj:2fo9
PDBsum2fo9
PubMed16488429
UniProtP00772|CELA1_PIG Chymotrypsin-like elastase family member 1 (Gene Name=CELA1)

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