Structure of PDB 6ew9 Chain B Binding Site BS02

Receptor Information
>6ew9 Chain B (length=292) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPTPASYNLAVRRAAPAVVNVYNRTLGSGVIMDQRGYIITNKHVINDADQ
IIVALQDGRVFEALLVGSDSLTDLAVLKINATGGLPTIPINARRVPHIGD
VVLAIGNPYNLGQTITQGIISATGRIGLNPTGRQNFLQTDASINHGNSGG
ALVNSLGELMGINTLSFDKSNDGETPEGIGFAIPFQLATKIMDKLIRDGR
VIRGYIGIGGREIIDQLQGIVVNEVSPDGPAANAGIQVNDLIISVDNKPA
ISALETMDQVAEIRPGSVIPVVVMRDDKQLTLQVTIQEYPAT
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 chain6ew9 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6ew9 Identification of Noncatalytic Lysine Residues from Allosteric Circuits via Covalent Probes.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N197 H198 S201
Binding residue
(residue number reindexed from 1)		N144 H145 S148
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.21.107: peptidase Do.
Gene Ontology
Molecular Function
GO:0004252 serine-type endopeptidase activity
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6ew9, PDBe:6ew9, PDBj:6ew9
PDBsum6ew9
PubMed29658704
UniProtP0AEE3|DEGS_ECOLI Serine endoprotease DegS (Gene Name=degS)

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