Structure of PDB 8hgk Chain G Binding Site BS01

Receptor Information
>8hgk Chain G (length=177) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LIPIVVEQGERAYDIYSRLLRERIVCVMGPIDDSVASLVIAQLLFLQSES
NKKPIHMYINSPGGVVTAGLAIYDTMQYILNPICTWCVGQAASMGSLLLA
AGTPGMRHSLPNSRIMIHQPIQAEEIMKLKKQLYNIYAKHTKQSLQVIES
AMERDRYMSPMEAQEFGILDKVLVHPP
Ligand information
Ligand IDZLL
InChIInChI=1S/C19H20BrF2N3O/c20-16-3-1-14(2-4-16)12-23-19(26)25-7-5-24(6-8-25)13-15-9-17(21)11-18(22)10-15/h1-4,9-11H,5-8,12-13H2,(H,23,26)
InChIKeyHRSJZGGIFGZVFD-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385Fc1cc(F)cc(CN2CCN(CC2)C(=O)NCc3ccc(Br)cc3)c1
OpenEye OEToolkits 2.0.7c1cc(ccc1CNC(=O)N2CCN(CC2)Cc3cc(cc(c3)F)F)Br
FormulaC19 H20 Br F2 N3 O
Name4-[[3,5-bis(fluoranyl)phenyl]methyl]-N-[(4-bromophenyl)methyl]piperazine-1-carboxamide
ChEMBL
DrugBank
ZINC
PDB chain8hgk Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8hgk Crystal structure of human ClpP in complex with ZK53
Resolution1.9 Å
Binding residue
(original residue number in PDB)		F105 S108 T135 Y138
Binding residue
(residue number reindexed from 1)		F45 S48 T75 Y78
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:8hgk, PDBe:8hgk, PDBj:8hgk
PDBsum8hgk
PubMed37923710
UniProtQ16740|CLPP_HUMAN ATP-dependent Clp protease proteolytic subunit, mitochondrial (Gene Name=CLPP)

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