Structure of PDB 1bru Chain P Binding Site BS01

Receptor Information
>1bru Chain P (length=241) Species: 9823 (Sus scrofa) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVGGEDARPNSWPWQVSLQYDSSGQWRHTCGGTLVDQSWVLTAAHCISSS
RTYRVVLGRHSLSTNEPGSLAVKVSKLVVHQDWNSNQLSNGNDIALLKLA
SPVSLTDKIQLGCLPAAGTILPNNYVCYVTGWGRLQTNGASPDILQQGQL
LVVDYATCSKPGWWGSTVKTNMICAGGDGIISSCNGDSGGPLNCQGANGQ
WQVHGIVSFGSSLGCNYYHKPSVFTRVSNYIDWINSVIANN
Ligand information
Ligand ID1NB
InChIInChI=1S/C10H16O2/c1-2-4-8(7-11)9-5-3-6-10(9)12/h2,7-10,12H,1,3-6H2/t8-,9+,10-/m0/s1
InChIKeyNEWBFDLFXDTFGD-AEJSXWLSSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=CC(C/C=C)C1CCCC1O
CACTVS 3.341O[CH]1CCC[CH]1[CH](CC=C)C=O
CACTVS 3.341O[C@H]1CCC[C@@H]1[C@@H](CC=C)C=O
OpenEye OEToolkits 1.5.0C=CCC(C=O)C1CCCC1O
OpenEye OEToolkits 1.5.0C=CC[C@@H](C=O)[C@H]1CCC[C@@H]1O
FormulaC10 H16 O2
Name2-(2-HYDROXY-CYCLOPENTYL)-PENT-4-ENAL;
GR143783
ChEMBL
DrugBankDB06901
ZINCZINC000003872725
PDB chain1bru Chain P Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bru ?
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H57 C191 N192 G193 D194 S195
Binding residue
(residue number reindexed from 1)		H45 C184 N185 G186 D187 S188
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G193 S195 G196
Catalytic site (residue number reindexed from 1) G186 S188 G189
Enzyme Commision number 3.4.21.71: pancreatic elastase II.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis
GO:0032868 response to insulin
GO:0050796 regulation of insulin secretion
GO:0090330 regulation of platelet aggregation
GO:1901143 insulin catabolic process
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:1bru, PDBe:1bru, PDBj:1bru
PDBsum1bru
PubMed
UniProtP08419|CEL2A_PIG Chymotrypsin-like elastase family member 2A (Gene Name=CELA2A)

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