Structure of PDB 7oxy Chain A Binding Site BS04

Receptor Information

>7oxy Chain A (length=473) Species: 28049 (Acidothermus cellulolyticus)

MHRVMGIETEYGISVPHQPNANAMAASSQVVNAYAQARWDFELGLANVIL
TNGARLYVDHAHPEYSTPEVTNPRDAVLWDKAGERIMAEAARRAADLPMG
WTIQLYKNNTDNKGASYGCHENYLMNRSTPFADIVRHLIPFFVTRQVFCG
AGRVGIGADGRGEGFQLSQRADFFEVEVGLETTLKRPIINTRDEPHADPE
KYRRLHVIIGDANMSEIATYLKLGTTALVLAMIEDGFLSQDFSVESPVGA
LRAVSHDPTLRYQLRLHDGRRLTAVQLQMEYLEQARKYVEDRFGTDVDDM
TRDVLDRWETTLVRLADDPMQLSRDLDWVAKLSILEGYRQRENLPWSAHK
LQLVDLQYHDVRPDRGLYNRLVARGRMNLLVDEAAVRTAMHEPPNDTRAY
FRGRCLAKFGAEIAAASWDSVIFDLPGRDSLQRVPTLEPLRGTRAHVGDL
LDRCRSATELVAALTGGENLYFQ

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: 7oxy Chain A Residue 604

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7oxy Structures of prokaryotic ubiquitin-like protein Pup in complex with depupylase Dop reveal the mechanism of catalytic phosphate formation.
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): E8 Y92 E99
• Binding residue (residue number reindexed from 1): E8 Y57 E64
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.4.-.-

Gene Ontology

Molecular Function

• GO:0005524 ATP binding
• GO:0008233 peptidase activity
• GO:0016787 hydrolase activity
• GO:0016811 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds, in linear amides
• GO:0046872 metal ion binding

Biological Process

• GO:0010498 proteasomal protein catabolic process
• GO:0019941 modification-dependent protein catabolic process
• GO:0070490 protein pupylation

External links

• PDB: RCSB:7oxy, PDBe:7oxy, PDBj:7oxy
• PDBsum: 7oxy
• PubMed: 34789727
• UniProt: A0LU48|DOP_ACIC1 Depupylase (Gene Name=dop)