Structure of PDB 6h23 Chain C Binding Site BS02

Receptor Information
>6h23 Chain C (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 D 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)		L104 F105 S108 Y138
Binding residue
(residue number reindexed from 1)		L32 F33 S36 Y66
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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