Structure of PDB 6o44 Chain B Binding Site BS02

Receptor Information
>6o44 Chain B (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 B Residue 302 [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)		H64 C221
Binding residue
(residue number reindexed from 1)		H64 C221
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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