Structure of PDB 9ft0 Chain K Binding Site BS01

Receptor Information
>9ft0 Chain K (length=211) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAAD
CQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTMI
CGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSVE
DALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKVK
EEEGSFNNVIG
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 chain9ft0 Chain K Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB9ft0 Structure-based design of peptide epoxyketones selectively targeting the three human immunoproteasome active sites
Resolution2.75 Å
Binding residue
(original residue number in PDB)		A165 D168 A169 S171
Binding residue
(residue number reindexed from 1)		A164 D167 A168 S170
Annotation score4
External links
PDB RCSB:9ft0, PDBe:9ft0, PDBj:9ft0
PDBsum9ft0
PubMed
UniProtP30656|PSB5_YEAST Proteasome subunit beta type-5 (Gene Name=PRE2)

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