Structure of PDB 6h39 Chain G Binding Site BS01

Receptor Information
>6h39 Chain G (length=241) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GYDRHITIFSPEGRLYQVEYAFKATNQTNINSLAVRGKDCTVVISQKKVP
DKLLDPTTVSYIFCISRTIGMVVNGPIPDARNAALRAKAEAAEFRYKYGY
DMPCDVLAKRMANLSQIYTQRAYMRPLGVILTFVSVDEELGPSIYKTDPA
GYYVGYKATATGPKQQEITTNLENHFKKSKIDHINEESWEKVVEFAITHM
IDALGTEFSKNDLEVGVATKDKFFTLSAENIEERLVAIAEQ
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 chain6h39 Chain G Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6h39 Discovery of the First-in-Class Dual Histone Deacetylase-Proteasome Inhibitor.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		T8 R122 A123 M125
Binding residue
(residue number reindexed from 1)		T7 R121 A122 M124
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6h39, PDBe:6h39, PDBj:6h39
PDBsum6h39
PubMed30365892
UniProtP21243|PSA1_YEAST Proteasome subunit alpha type-1 (Gene Name=SCL1)

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