Structure of PDB 4nnw Chain K Binding Site BS02

Receptor Information

>4nnw Chain K (length=212) Species: 559292 (Saccharomyces cerevisiae S288C)

TTTLAFRFQGGIIVAVDSRATAGNWVASQTVKKVIEINPFLLGTMAGGAA
DCQFWETWLGSQCRLHELREKERISVAAASKILSNLVYQYKGAGLSMGTM
ICGYTRKEGPTIYYVDSDGTRLKGDIFCVGSGQTFAYGVLDSNYKWDLSV
EDALYLGKRSILAAAHRDAYSGGSVNLYHVTEDGWIYHGNHDVGELFWKV
KEEEGSFNNVIG

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4nnw Chain K Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4nnw Systematic Comparison of Peptidic Proteasome Inhibitors Highlights the alpha-Ketoamide Electrophile as an Auspicious Reversible Lead Motif.
• Resolution: 2.6 Å
• Binding residue (original residue number in PDB): A165 D168
• Binding residue (residue number reindexed from 1): A165 D168
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): T1 D17 R19 K33 G47 S131 D168 S171
• Catalytic site (residue number reindexed from 1): T1 D17 R19 K33 G47 S131 D168 S171
• Enzyme Commision number: 3.4.25.1: proteasome endopeptidase complex.

Gene Ontology

Molecular Function

• GO:0004298 threonine-type endopeptidase activity

Biological Process

• GO:0051603 proteolysis involved in protein catabolic process

Cellular Component

• GO:0005839 proteasome core complex

External links

• PDB: RCSB:4nnw, PDBe:4nnw, PDBj:4nnw
• PDBsum: 4nnw
• PubMed: 24403024
• UniProt: P30656|PSB5_YEAST Proteasome subunit beta type-5 (Gene Name=PRE2)