Structure of PDB 3mh5 Chain B Binding Site BS01

Receptor Information
>3mh5 Chain B (length=202) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QMPSLAPMLEKVMPSVVSINVEGSTTVNTPRMGQQQKFMALGSGVIIDAD
KGYVVTNNHVVDNATVIKVQLSDGRKFDAKMVGKDPRSDIALIQIQNPKN
LTAIKMADSDALRVGDYTVAIGNPFGLGETVTSGIVSALGENFIQTDAAI
NRGNSGGALVNLNGELIGINTAIIGIGFAIPSNMVKNLTSQMVEYGQVKR
GE
Ligand information
Ligand IDDFP
InChIInChI=1S/C6H15O3P/c1-5(2)8-10(7)9-6(3)4/h5-6,10H,1-4H3
InChIKeyBLKXLEPPVDUHBY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)O[PH](=O)OC(C)C
OpenEye OEToolkits 1.5.0CC(C)OP(=O)OC(C)C
ACDLabs 10.04O=P(OC(C)C)OC(C)C
FormulaC6 H15 O3 P
NameDIISOPROPYL PHOSPHONATE
ChEMBL
DrugBankDB04491
ZINCZINC000100018862
PDB chain3mh5 Chain B Residue 500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mh5 HtrA proteases have a conserved activation mechanism that can be triggered by distinct molecular cues
Resolution3.0 Å
Binding residue
(original residue number in PDB)		A166 P170 T176 A204 I205 S210
Binding residue
(residue number reindexed from 1)		A120 P124 T130 A149 I150 S155
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.21.107: peptidase Do.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0005515 protein binding
GO:0008233 peptidase activity
GO:0008236 serine-type peptidase activity
GO:0042802 identical protein binding
Biological Process
GO:0006457 protein folding
GO:0006508 proteolysis
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
GO:0006979 response to oxidative stress
GO:0009266 response to temperature stimulus
GO:0009408 response to heat
GO:0061077 chaperone-mediated protein folding
Cellular Component
GO:0005886 plasma membrane
GO:0030288 outer membrane-bounded periplasmic space
GO:0042597 periplasmic space

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mh5, PDBe:3mh5, PDBj:3mh5
PDBsum3mh5
PubMed20581825
UniProtP0C0V0|DEGP_ECOLI Periplasmic serine endoprotease DegP (Gene Name=degP)

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