Structure of PDB 5lf7 Chain H Binding Site BS01

Receptor Information

>5lf7 Chain H (length=220) Species: 9606 (Homo sapiens)

TTIAGVVYKDGIVLGADTRATEGMVVADKNCSKIHFISPNIYCCGAGTAA
DTDMTTQLISSNLELHSLSTGRLPRVVTANRMLKQMLFRYQGYIGAALVL
GGVDVTGPHLYSIYPHGSTDKLPYVTMGSGSLAAMAVFEDKFRPDMEEEE
AKNLVSEAIAAGIFNDLGSGSNIDLCVISKNKLDFLRPYTVPNKKGTRLG
RYRCEKGTTAVLTEKITPLE

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: 5lf7 Chain H Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5lf7 The inhibition mechanism of human 20S proteasomes enables next-generation inhibitor design.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): I164 D167 S170
• Binding residue (residue number reindexed from 1): I163 D166 S169
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): T2 D18 R20 K34 G48 S130 D167 S170
• Catalytic site (residue number reindexed from 1): T1 D17 R19 K33 G47 S129 D166 S169
• 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:5lf7, PDBe:5lf7, PDBj:5lf7
• PDBsum: 5lf7
• PubMed: 27493187
• UniProt: Q99436|PSB7_HUMAN Proteasome subunit beta type-7 (Gene Name=PSMB7)