Structure of PDB 2wuw Chain E Binding Site BS02

Receptor Information
>2wuw Chain E (length=274) Species: 1402 (Bacillus licheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASF
VAGEAYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGS
GSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVA
AAGNSGNSGSTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAP
GAGVYSTYPTNTYATLNGTSMASPHVAGAAALILSKHPNLSASQVRNRLS
STATYLGSSFYYGKGLINVEAAAQ
Ligand information
Ligand IDCCN
InChIInChI=1S/C2H3N/c1-2-3/h1H3
InChIKeyWEVYAHXRMPXWCK-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 11.02N#CC
CACTVS 3.352
OpenEye OEToolkits 1.7.0		CC#N
FormulaC2 H3 N
NameACETONITRILE
ChEMBLCHEMBL45211
DrugBank
ZINC
PDB chain2wuw Chain E Residue 1280 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2wuw Crystallographic Analysis of Counterion Effects on Subtilisin Enzymatic Action in Acetonitrile.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		L126 G127 G154
Binding residue
(residue number reindexed from 1)		L125 G126 G153
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S221
Catalytic site (residue number reindexed from 1) S220
Enzyme Commision number 3.4.21.62: subtilisin.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:2wuw, PDBe:2wuw, PDBj:2wuw
PDBsum2wuw
PubMed20099851
UniProtP00780|SUBC_BACLI Subtilisin Carlsberg (Gene Name=subC)

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