Structure of PDB 2foc Chain A Binding Site BS03

Receptor Information
>2foc 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 IDDMF
InChIInChI=1S/C3H7NO/c1-4(2)3-5/h3H,1-2H3
InChIKeyZMXDDKWLCZADIW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CN(C)C=O
ACDLabs 10.04O=CN(C)C
FormulaC3 H7 N O
NameDIMETHYLFORMAMIDE
ChEMBLCHEMBL268291
DrugBankDB01844
ZINCZINC000000901648
PDB chain2foc Chain A Residue 1007 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2foc Multiple solvent crystal structures: Probing binding sites, plasticity and hydration
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G18 G19 T20 Q162 A163 Y164 R196
Binding residue
(residue number reindexed from 1)		G3 G4 T5 Q147 A148 Y149 R181
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:2foc, PDBe:2foc, PDBj:2foc
PDBsum2foc
PubMed16488429
UniProtP00772|CELA1_PIG Chymotrypsin-like elastase family member 1 (Gene Name=CELA1)

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