Structure of PDB 3hye Chain 2 Binding Site BS01

Receptor Information
>3hye Chain 2 (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 IDHYE
InChIInChI=1S/C15H23NO5/c1-14(21)11(7-8-17)13(20)16-15(14,9-18)12(19)10-5-3-2-4-6-10/h3,5,9-12,17,19,21H,2,4,6-8H2,1H3,(H,16,20)/t10-,11+,12+,14+,15-/m1/s1
InChIKeyGHPZQFVQLPZKDP-FUQNVFFISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@@]1([C@H](C(=O)N[C@]1(C=O)[C@H]([C@H]2CCCC=C2)O)CCO)O
OpenEye OEToolkits 1.5.0CC1(C(C(=O)NC1(C=O)C(C2CCCC=C2)O)CCO)O
CACTVS 3.341C[C]1(O)[CH](CCO)C(=O)N[C]1(C=O)[CH](O)[CH]2CCCC=C2
CACTVS 3.341C[C@]1(O)[C@@H](CCO)C(=O)N[C@]1(C=O)[C@@H](O)[C@H]2CCCC=C2
ACDLabs 10.04O=CC1(NC(=O)C(C1(O)C)CCO)C(O)C2C=CCCC2
FormulaC15 H23 N O5
Name(2R,3S,4R)-2-[(S)-(1S)-cyclohex-2-en-1-yl(hydroxy)methyl]-3-hydroxy-4-(2-hydroxyethyl)-3-methyl-5-oxopyrrolidine-2-carbaldehyde
ChEMBL
DrugBank
ZINCZINC000058638755
PDB chain3hye Chain 2 Residue 300 [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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PDB3hye Snapshots of the fluorosalinosporamide/20S complex offer mechanistic insights for fine tuning proteasome inhibition
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T1 T20 T21 R45 S46 G47
Binding residue
(residue number reindexed from 1)		T1 T20 T21 R45 S46 G47
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
View graph for
Cellular Component
External links
PDB RCSB:3hye, PDBe:3hye, PDBj:3hye
PDBsum3hye
PubMed19678642
UniProtP38624|PSB1_YEAST Proteasome subunit beta type-1 (Gene Name=PRE3)

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