Structure of PDB 4qzz Chain N Binding Site BS01

Receptor Information

>4qzz Chain N (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 ID

SLA

InChI

InChI=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

InChIKey

NREVXJAQSWMFJZ-CHIQAWFVSA-N

SMILES

Software	SMILES
OpenEye OEToolkits 1.7.6	C[C@@H]1[C@@H]([C@@](NC1=O)(C=O)[C@H](C(C)C)O)O
CACTVS 3.385	CC(C)[C@H](O)[C@]1(NC(=O)[C@H](C)[C@@H]1O)C=O
OpenEye OEToolkits 1.7.6	CC1C(C(NC1=O)(C=O)C(C(C)C)O)O
CACTVS 3.385	CC(C)[CH](O)[C]1(NC(=O)[CH](C)[CH]1O)C=O
ACDLabs 12.01	O=CC1(NC(=O)C(C1O)C)C(O)C(C)C

Formula

C10 H17 N O4

Name

Omuralide, open form;
(2R,3S,4R)-3-hydroxy-2-[(1S)-1-hydroxy-2-methylpropyl]-4-methyl-5-oxopyrrolidine-2-carbaldehyde

PDB chain

4qzz Chain N Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	4qzz Bortezomib-Resistant Mutant Proteasomes: Structural and Biochemical Evaluation with Carfilzomib and ONX 0914.
Resolution	2.9 Å
Binding residue (original residue number in PDB)	T1 T20 S46 G47
Binding residue (residue number reindexed from 1)	T1 T20 S46 G47
Annotation score	1

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 S129 D166 S169
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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Cellular Component

External links

PDB	RCSB:4qzz, PDBe:4qzz, PDBj:4qzz
PDBsum	4qzz
PubMed	25599643
UniProt	P38624\|PSB1_YEAST Proteasome subunit beta type-1 (Gene Name=PRE3)

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