Structure of PDB 2foe Chain A Binding Site BS02

Receptor Information
>2foe 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 ID217
InChIInChI=1S/C6H12O2/c1-2-3-4-6(8)5-7/h2,6-8H,1,3-5H2/t6-/m0/s1
InChIKeyWGTGQGJDNAGBCC-LURJTMIESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OCC(O)CC\C=C
OpenEye OEToolkits 1.5.0C=CCC[C@@H](CO)O
CACTVS 3.341OC[C@@H](O)CCC=C
OpenEye OEToolkits 1.5.0C=CCCC(CO)O
CACTVS 3.341OC[CH](O)CCC=C
FormulaC6 H12 O2
Name(2S)-HEX-5-ENE-1,2-DIOL
ChEMBL
DrugBank
ZINC
PDB chain2foe 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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PDB2foe Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C199 V224
Binding residue
(residue number reindexed from 1)		C184 V209
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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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2foe, PDBe:2foe, PDBj:2foe
PDBsum2foe
PubMed16488429
UniProtP00772|CELA1_PIG Chymotrypsin-like elastase family member 1 (Gene Name=CELA1)

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