Structure of PDB 1sel Chain B Binding Site BS01

Receptor Information
>1sel Chain B (length=274) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQTVPYGIPLIKADKVQAQGFKGANVKVAVLDTGIQASHPDLNVVGGASF
VAGEAYNTDGNGHGTHVAGTVAALDNTTGVLGVAPSVSLYAVKVLNSSGS
GSYSGIVSGIEWATTNGMDVINMSLGGASGSTAMKQAVDNAYARGVVVVA
AAGNSGNSGSTNTIGYPAKYDSVIAVGAVDSNSNRASFSSVGAELEVMAP
GAGVYSTYPTNTYATLNGTAMASPHVAGAAALILSKHPNLSASQVRNRLS
STATYLGSSFYYGKGLINVEAAAQ
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain1sel Chain B Residue 276 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1sel Crystal structure of selenosubtilisin at 2.0-A resolution.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		Q2 D41 L75 N77 T79 V81
Binding residue
(residue number reindexed from 1)		Q2 D41 L74 N76 T78 V80
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D32 H64 N155 A221
Catalytic site (residue number reindexed from 1) D32 H63 N154 A220
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1sel, PDBe:1sel, PDBj:1sel
PDBsum1sel
PubMed8512925
UniProtP00780|SUBC_BACLI Subtilisin Carlsberg (Gene Name=subC)

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