Structure of PDB 3tt7 Chain B Binding Site BS01

Receptor Information
>3tt7 Chain B (length=180) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPTVIAYDIYSRLLKDRIIMLGSAIDDNVANSIVSQLLFLAAEDPEKEIS
LYINSPGGSITAGMAIYDTMQFIKPKVSTICIGMAASMGAFLLAAGEKGK
RYALPNSEVMIHQPLGGAQGQATEIEIAAKRILLLRDKLNKVLAERTGQP
LEVIERDTDRDNFKSAEEALEYGLIDKILT
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 chain3tt7 Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3tt7 Structural insights into the conformational diversity of ClpP from Bacillus subtilis
Resolution2.558 Å
Binding residue
(original residue number in PDB)		G68 S97 M98 H122
Binding residue
(residue number reindexed from 1)		G58 S87 M88 H112
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) G68 S97 M98 H122 D171
Catalytic site (residue number reindexed from 1) G58 S87 M88 H112 D161
Enzyme Commision number 3.4.21.92: endopeptidase Clp.
Gene Ontology
Molecular Function
GO:0004176 ATP-dependent peptidase activity
GO:0004252 serine-type endopeptidase activity
GO:0008236 serine-type peptidase activity
GO:0042802 identical protein binding
GO:0051117 ATPase binding
Biological Process
GO:0006508 proteolysis
GO:0006515 protein quality control for misfolded or incompletely synthesized proteins
Cellular Component
GO:0005737 cytoplasm
GO:0009368 endopeptidase Clp complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3tt7, PDBe:3tt7, PDBj:3tt7
PDBsum3tt7
PubMed22080375
UniProtP80244|CLPP_BACSU ATP-dependent Clp protease proteolytic subunit (Gene Name=clpP)

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