Structure of PDB 1bh6 Chain A Binding Site BS01

Receptor Information
>1bh6 Chain A (length=274) Species: 1402 (Bacillus licheniformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQTVPYGIPLIKADKVQAQGYKGANVKVGIIDTGIASSHTDLKVVGGASF
VSGESYNTDGNGHGTHVAGTVAALDNTTGVLGVAPNVSLYAIKVLNSSGS
GSYSAIVSGIEWATQNGLDVINMSLGGPSGSTALKQAVDKAYASGIVVVA
AAGNSGNSGSQNTIGYPAKYDSVIAVGAVDSNKNRASFSSVGSELEVMAP
GVSVYSTYPSNTYTSLNGTSMASPHVAGAAALILSKYPTLSASQVRNRLS
STATNLGDSFYYGKGLINVEAAAQ
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 chain1bh6 Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1bh6 Crystal structure of subtilisin DY, a random mutant of subtilisin Carlsberg.
Resolution1.75 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 S221
Catalytic site (residue number reindexed from 1) D32 H63 N154 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
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis
GO:0030435 sporulation resulting in formation of a cellular spore
Cellular Component
GO:0005576 extracellular region

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1bh6, PDBe:1bh6, PDBj:1bh6
PDBsum1bh6
PubMed9826175
UniProtP00781|SUBD_BACLI Subtilisin DY (Gene Name=apr)

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