Structure of PDB 4lqi Chain Y Binding Site BS01

Receptor Information
>4lqi Chain Y (length=212) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAA
DCQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTM
ICGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSV
EDALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKV
KEEEGSFNNVIG
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 Y Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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 M45 A46 G47
Binding residue
(residue number reindexed from 1)		T1 M45 A46 G47
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T1 D17 R19 K33 G47 S129 D166 S169
Catalytic site (residue number reindexed from 1) T1 D17 R19 K33 G47 S131 D168 S171
Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.
Gene Ontology
Molecular Function
GO:0004298 threonine-type endopeptidase activity
Biological Process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0005839 proteasome core complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:4lqi, PDBe:4lqi, PDBj:4lqi
PDBsum4lqi
PubMed24285701
UniProtP30656|PSB5_YEAST Proteasome subunit beta type-5 (Gene Name=PRE2)

[Back to BioLiP]