Structure of PDB 3sdi Chain U Binding Site BS02

Receptor Information
>3sdi Chain U (length=240) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DRHITIFSPEGRLYQVEYAFKATNQTNINSLAVRGKDCTVVISQKKVPDK
LLDPTTVSYIFCISRTIGMVVNGPIPDARNAALRAKAEAAEFRYKYGYDM
PCDVLAKRMANLSQIYTQRAYMRPLGVILTFVSVDEELGPSIYKTDPAGY
YVGYKATATGPKQQEITTNLENHFKKSKIDHINEESWEKVVEFAITHMID
ALGTEFSKNDLEVGVATKDKFFTLSAENIEERLVAIAEQD
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 chain3sdi Chain U 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]
PDB3sdi 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.
Resolution2.65 Å
Binding residue
(original residue number in PDB)		T13 Y123 R126 M129
Binding residue
(residue number reindexed from 1)		T5 Y116 R119 M122
Annotation score4
Enzymatic activity
Enzyme Commision number 3.4.25.1: proteasome endopeptidase complex.
Gene Ontology
Molecular Function
GO:0003674 molecular_function
GO:0005515 protein binding
Biological Process
GO:0006511 ubiquitin-dependent protein catabolic process
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:0005739 mitochondrion
GO:0005839 proteasome core complex
GO:0019773 proteasome core complex, alpha-subunit complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3sdi, PDBe:3sdi, PDBj:3sdi
PDBsum3sdi
PubMed20875739
UniProtP21243|PSA1_YEAST Proteasome subunit alpha type-1 (Gene Name=SCL1)

[Back to BioLiP]