Structure of PDB 6hue Chain B Binding Site BS03

Receptor Information

>6hue Chain B (length=382) Species: 9606 (Homo sapiens)

MIVFVRFNSSHGFPVEVDSDTSIFQLKEVVAKRQGVPADQLRVIFAGKEL
RNDWTVQNCDLDQQNIVHIVQRPWRKEMNATNSFYVYCKGPCQRVQPGKL
RVQCSTCRQATLTLTQGPSCWDDVLIPNRMSGECQSPHCPGTSAEFFFKC
GAHPTSDKETSVALHLIATNSRNITCITCTDVRSPVLVFQCNSRHVICLD
CFHLYCVTRLNDRQFVHDPQLGYSLPCVAGCPNSLIKELHHFRILGEEQY
NRYQQYGAEECVLQMGGVLCPRPGCGAGLLPEPDQRKVTCEGNGFAFCRE
CKEAYHEGECSAVFEYRVDERAAEQARWEATTKPCPRCHVPVEKNGGCMH
MKCPQPQCRLEWCWNCGCEWNRVCMGDHWFDV

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 6hue Chain B Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6hue Phosphorylation of Parkin at serine 65 is essential for its activation in vivo .
• Resolution: 2.85 Å
• Binding residue (original residue number in PDB): C238 C241 C260 C263
• Binding residue (residue number reindexed from 1): C176 C179 C198 C201
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 2.3.2.31: RBR-type E3 ubiquitin transferase.

Gene Ontology

Molecular Function

• GO:0004842 ubiquitin-protein transferase activity
• GO:0008270 zinc ion binding

Biological Process

• GO:0016567 protein ubiquitination

Cellular Component

• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:6hue, PDBe:6hue, PDBj:6hue
• PDBsum: 6hue
• PubMed: 30404819
• UniProt: O60260|PRKN_HUMAN E3 ubiquitin-protein ligase parkin (Gene Name=PRKN)