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BioLiP

Structure of PDB 6o44 Chain A Binding Site BS01

Receptor Information
>6o44 Chain A (length=276) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AQSVPYGISQIKAPALHSQGYTGSNVKVAVIDSGIDSSHPDLNVRGGASF
VPSETNPYQDGSSHGTHVAGTIAALNNSIGVLGVAPSASLYAVKVLDSTG
SGQYSWIINGIEWAISNNMDVINMSLGGPSGSTALKTVVDKAVSSGIVVA
AAAGNEGSSGSSSTVGYPAKYPSTIAVGAVNSSNQRASFSSAGSELDVMA
PGVSIQSTLPGGTYGAYNGTCMATPHVAGAAALILSKHPTWTNAQVRDRL
ESTATYLGNSFYYGKGLINVQAAAQS
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 chain6o44 Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6o44 Insight into subtilisin E-S7 cleavage pattern based on crystal structure and hydrolysates peptide analysis.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		Q2 D41 L75 N77 I79 V81
Binding residue
(residue number reindexed from 1)		Q2 D41 L75 N77 I79 V81
Annotation score4
Enzymatic activity
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:6o44, PDBe:6o44, PDBj:6o44
PDBsum6o44
PubMed30914195
UniProtP04189|SUBT_BACSU Subtilisin E (Gene Name=aprE)

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