Structure of PDB 8olu Chain Z Binding Site BS01

Receptor Information
>8olu Chain Z (length=202) Species: 5689 (Leishmania tarentolae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTLAFRFNGGIIVAVDSRASTGQYIASQTVMKVLEINDYLLGTLAGGAA
DCQYWERVLGMECRLWELRNGSRITVAAASKILANITYAYRNHGLSMGTM
VAGWDQFGPSLYYVDDKGSRVKQDLFSVGSGSIYAYGVLDTGYRKDLSVE
DACDLARRSIFHATYRDGASGGIVTVYHVHEKGWTKISRDDQTKLYHRYF
PS
Ligand information
Ligand IDVYW
InChIInChI=1S/C22H20N4O3/c27-20-12-11-19(25-26(20)14-15-5-2-1-3-6-15)22(29)24-18-8-4-7-16(13-18)21(28)23-17-9-10-17/h1-8,11-13,17H,9-10,14H2,(H,23,28)(H,24,29)
InChIKeyWTFTYKWBWNYQKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc(cc1)CN2C(=O)C=CC(=N2)C(=O)Nc3cccc(c3)C(=O)NC4CC4
CACTVS 3.385O=C(NC1CC1)c2cccc(NC(=O)C3=NN(Cc4ccccc4)C(=O)C=C3)c2
FormulaC22 H20 N4 O3
Name~{N}-[3-(cyclopropylcarbamoyl)phenyl]-6-oxidanylidene-1-(phenylmethyl)pyridazine-3-carboxamide
ChEMBL
DrugBank
ZINCZINC000014083645
PDB chain8olu Chain Z Residue 4000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8olu Structure-Guided Design and Synthesis of a Pyridazinone Series of Trypanosoma cruzi Proteasome Inhibitors.
Resolution2.59 Å
Binding residue
(original residue number in PDB)		G146 M196 G197 Y212 F225 S226 V227 G228 S231 Y235
Binding residue
(residue number reindexed from 1)		G47 M97 G98 Y113 F126 S127 V128 G129 S132 Y136
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.
Gene Ontology
Molecular Function
GO:0004298 threonine-type endopeptidase activity
GO:0008233 peptidase activity
Biological Process
GO:0006508 proteolysis
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005839 proteasome core complex

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Biological Process
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Cellular Component
External links
PDB RCSB:8olu, PDBe:8olu, PDBj:8olu
PDBsum8olu
PubMed37506194
UniProtA0A640KW57

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