Structure of PDB 4lqi Chain b Binding Site BS01

Receptor Information
>4lqi Chain b (length=196) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSIMAVTFKDGVILGADSRTTTGAYIANRVTDKLTRVHDKIWCCRSGSAA
DTQAIADIVQYHLELYTSQYGTPSTETAASVFKELCYENKDNLTAGIIVA
GYDDKNKGEVYTIPLGGSVHKLPYAIAGSGSTFIYGYCDKNFRENMSKEE
TVDFIKHSLSQAIKWDGSSGGVIRMVVLTAAGVERLIFYPDEYEQL
Ligand information
Ligand ID1Y9
InChIInChI=1S/C12H18O3/c1-9(2)3-4-12(8-14)6-10(7-13)5-11(12)15/h3,6,8,11,13,15H,4-5,7H2,1-2H3/t11-,12-/m0/s1
InChIKeyWFKBKCXWCUVGHP-RYUDHWBXSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O=CC1(C=C(CC1O)CO)C\C=C(/C)C
CACTVS 3.385CC(C)=CC[C]1(C=O)C=C(CO)C[CH]1O
OpenEye OEToolkits 1.7.6CC(=CC[C@]1(C=C(C[C@@H]1O)CO)C=O)C
OpenEye OEToolkits 1.7.6CC(=CCC1(C=C(CC1O)CO)C=O)C
CACTVS 3.385CC(C)=CC[C@@]1(C=O)C=C(CO)C[C@@H]1O
FormulaC12 H18 O3
Namevibralactone, bound form;
(1R,5S)-5-hydroxy-3-(hydroxymethyl)-1-(3-methylbut-2-en-1-yl)cyclopent-2-ene-1-carbaldehyde
ChEMBL
DrugBank
ZINCZINC000095920993
PDB chain4lqi Chain b Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4lqi Omuralide and Vibralactone: Differences in the Proteasome-beta-Lactone-gamma-Lactam Binding Scaffold Alter Target Preferences.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		T1 T20 R45 S46 G47 A49
Binding residue
(residue number reindexed from 1)		T1 T20 R45 S46 G47 A49
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.
Gene Ontology
Molecular Function
GO:0004175 endopeptidase activity
GO:0004298 threonine-type endopeptidase activity
GO:0005515 protein binding
Biological Process
GO:0006508 proteolysis
GO:0010499 proteasomal ubiquitin-independent protein catabolic process
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005839 proteasome core complex
GO:0019774 proteasome core complex, beta-subunit complex
GO:0034515 proteasome storage granule

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4lqi, PDBe:4lqi, PDBj:4lqi
PDBsum4lqi
PubMed24285701
UniProtP38624|PSB1_YEAST Proteasome subunit beta type-1 (Gene Name=PRE3)

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