Structure of PDB 3mh5 Chain A Binding Site BS01

Receptor Information
>3mh5 Chain A (length=191) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QMPSLAPMLEKVMPSVVSINVEGSTTKFMALGSGVIIDADKGYVVTNNHV
VDNATVIKVQLSDGRKFDAKMVGKDPRSDIALIQIQNPKNLTAIKMADSD
ALRVGDYTVAIGNPFGLGETVTSGIVSALGYENFIQTDAAINRGNSGGAL
VNLNGELIGINTAIIGFAIPSNMVKNLTSQMVEYGQVKRGE
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 A 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)		I205 N209 S210
Binding residue
(residue number reindexed from 1)		I141 N145 S146
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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