Structure of PDB 4b0s Chain A Binding Site BS02

Receptor Information

>4b0s Chain A (length=456) Species: 351607 (Acidothermus cellulolyticus 11B)

MHRVMGIETEYGISVPHQPNANAMAASSQVVNAYAPANVILTNGARLYVD
HAHPEYSTPEVTNPRDAVLWDKAGERIMAEAARRAADLPMGWTIQLYKNN
TDNKGASYGCHENYLMNRSTPFADIVRHLIPFFVTRQVFCGAGRVGIGAD
GRGEGFQLSQRADFFEVEVGLETTLKRPIINTRDEPHADPEKYRRLHVII
GDANMSEIATYLKLGTTALVLAMIEDGFLSQDFSVESPVGALRAVSHDPT
LRYQLRLHDGRRLTAVQLQMEYLEQARKYVEDRFGTDVDDMTRDVLDRWE
TTLVRLADDPMQLSRDLDWVAKLSILEGYRQRENLPWSAHKLQLVDLQYH
DVRPDRGLYNRLVARGRMNLLVDEAAVRTAMHEPPNDTRAYFRGRCLAKF
GAEIAAASWDSVIFDLPGRDSLQRVPTLEPLRGTRAHVGDLLDRCRSATE
LVAALT

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: 4b0s Chain A Residue 1502

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4b0s Structures of Pup Ligase Pafa and Depupylase Dop from the Prokaryotic Ubiquitin-Like Modification Pathway.
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): E8 H155 H241
• Binding residue (residue number reindexed from 1): E8 H111 H197
• 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:4b0s, PDBe:4b0s, PDBj:4b0s
• PDBsum: 4b0s
• PubMed: 22910360
• UniProt: A0LU48|DOP_ACIC1 Depupylase (Gene Name=dop)