Structure of PDB 5caw Chain A Binding Site BS01

Receptor Information

>5caw Chain A (length=298) Species: 121224 (Pediculus humanus corporis)

NKAHFFIYCANPCKKINTGKLRVCCSECKHGAFTVDTDPQSWADVLDKNK
ITGVCNNVGCEGLYAKFYFKCASHPSQGENDTAVPLNLIKRNHKKIPCLA
CTDICDPVLVFSCDNRHVTCLECFKNYCGSRLKDRQFLSHPDFGYTLPCP
AGCSNSFIEEVHHFRLLTDAQYEQYHRFATEEFILQAGGVLCPQPGCGQG
ILIDQNCNRVQCSCGYVFCGKCLEGFHLGECLNPLDPEKLEKARWDVLTK
PCPKCRTSTERAGGCMHMICTRANCGFHWCWVCQGPWERDCMASHWFG

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: 5caw Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5caw Mechanism of phospho-ubiquitin-induced PARKIN activation.
• Resolution: 2.62 Å
• Binding residue (original residue number in PDB): C151 C155 C213 H216
• Binding residue (residue number reindexed from 1): C9 C13 C71 H74
• 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:5caw, PDBe:5caw, PDBj:5caw
• PDBsum: 5caw
• PubMed: 26161729
• UniProt: E0VIU9|PRKN_PEDHC E3 ubiquitin-protein ligase parkin (Gene Name=park)