Structure of PDB 6h23 Chain J Binding Site BS01

Receptor Information
>6h23 Chain J (length=166) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YDIYSRLLRERIVCVMGPIDDSVASLVIAQLLFLQSESNKKPIHMAINSP
GGVVTAGLAIYDTMQYILNPICTWCVGQAASMGSLLLAAGTPGMRHSLPN
SRIMIHQPIAIQAEEIMKLKKQLYNIYAKHTKQSLQVIESAMERDRYMSP
MEAQEFGILDKVLVHP
Ligand information
Ligand IDFJT
InChIInChI=1S/C18H13ClFN3O4/c19-13-7-12(20)3-2-11(13)6-16-22-23-18(27-16)17(24)21-8-10-1-4-14-15(5-10)26-9-25-14/h1-5,7H,6,8-9H2,(H,21,24)
InChIKeyDDGOMXRMDQDHAN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1ccc(Cc2oc(nn2)C(=O)NCc3ccc4OCOc4c3)c(Cl)c1
OpenEye OEToolkits 2.0.6c1cc2c(cc1CNC(=O)c3nnc(o3)Cc4ccc(cc4Cl)F)OCO2
FormulaC18 H13 Cl F N3 O4
Name~{N}-(1,3-benzodioxol-5-ylmethyl)-5-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-1,3,4-oxadiazole-2-carboxamide
ChEMBL
DrugBank
ZINCZINC000013364070
PDB chain6h23 Chain J Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h23 Selective Activation of Human Caseinolytic Protease P (ClpP).
Resolution3.089 Å
Binding residue
(original residue number in PDB)		R78 L79 E82 W146 V148
Binding residue
(residue number reindexed from 1)		R6 L7 E10 W74 V76
Annotation score1
Enzymatic activity
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
Biological Process
GO:0006508 proteolysis

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Molecular Function
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Biological Process
External links
PDB RCSB:6h23, PDBe:6h23, PDBj:6h23
PDBsum6h23
PubMed30129683
UniProtQ16740|CLPP_HUMAN ATP-dependent Clp protease proteolytic subunit, mitochondrial (Gene Name=CLPP)

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