Structure of PDB 3oev Chain F Binding Site BS01

Receptor Information
>3oev Chain F (length=237) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NSVFSPDGRNFQVEYAVKAVENGTTSIGIKCNDGVVFAVEKLITSKLLVP
QKNVKIQVVDRHIGCVYSGLIPDGRHLVNRGREEAASFKKLYKTPIPIPA
FADRLGQYVQAHTLYNSVRPFGVSTIFGGVDKNGAHLYMLEPSGSYWGYK
GAATGKGRQSAKAELEKLVDHHPEGLSAREAVKQAAKIIYLAHEDNKEKD
FELEISWCSLSETNGLHKFVKGDLLQEAIDFAQKEIN
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3oev Chain F Residue 242 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3oev Optimization of a series of dipeptides with a P3 threonine residue as non-covalent inhibitors of the chymotrypsin-like activity of the human 20S proteasome.
Resolution2.85 Å
Binding residue
(original residue number in PDB)		A164 T165 K173
Binding residue
(residue number reindexed from 1)		A153 T154 K162
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) T35 E51 L53 K66 G80 K167
Catalytic site (residue number reindexed from 1) T24 E40 L42 K55 G69 K156
Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.
Gene Ontology
Biological Process
GO:0006511 ubiquitin-dependent protein catabolic process
GO:0051603 proteolysis involved in protein catabolic process
Cellular Component
GO:0005839 proteasome core complex
GO:0019773 proteasome core complex, alpha-subunit complex

View graph for
Biological Process
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Cellular Component
External links
PDB RCSB:3oev, PDBe:3oev, PDBj:3oev
PDBsum3oev
PubMed20875739
UniProtP21242|PSA7_YEAST Probable proteasome subunit alpha type-7 (Gene Name=PRE10)

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