Structure of PDB 4qzz Chain b Binding Site BS01

Receptor Information
>4qzz Chain b (length=196) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TSIMAVTFKDGVILGADSRTTTGAYIANRVTDKLTRVHDKIWCCRSGSAA
DTQAIADIVQYHLELYTSQYGTPSTETAASVFKELCYENKDNLTAGIIVA
GYDDKNKGEVYTIPLGGSVHKLPYAIAGSGSTFIYGYCDKNFRENMSKEE
TVDFIKHSLSQAIKWDGSSGGVIRMVVLTAAGVERLIFYPDEYEQL
Ligand information
Ligand IDSLA
InChIInChI=1S/C10H17NO4/c1-5(2)7(13)10(4-12)8(14)6(3)9(15)11-10/h4-8,13-14H,1-3H3,(H,11,15)/t6-,7+,8+,10-/m1/s1
InChIKeyNREVXJAQSWMFJZ-CHIQAWFVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O
CACTVS 3.385CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O
OpenEye OEToolkits 1.7.6CC1C(C(NC1=O)(C=O)C(C(C)C)O)O
CACTVS 3.385CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O
ACDLabs 12.01O=CC1(NC(=O)C(C1O)C)C(O)C(C)C
FormulaC10 H17 N O4
NameOmuralide, open form;
(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde
ChEMBL
DrugBank
ZINCZINC000098209411
PDB chain4qzz 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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PDB4qzz Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		T1 T20 S46 G47
Binding residue
(residue number reindexed from 1)		T1 T20 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
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Cellular Component
External links
PDB RCSB:4qzz, PDBe:4qzz, PDBj:4qzz
PDBsum4qzz
PubMed25599643
UniProtP38624|PSB1_YEAST Proteasome subunit beta type-1 (Gene Name=PRE3)

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