Structure of PDB 4i1f Chain A Binding Site BS07

Receptor Information

>4i1f Chain A (length=306) Species: 9606 (Homo sapiens)

SIYNSFYVYCKGPCQRVQPGKLRVQCSTCRQATLTLTQGPSCWDDVLIPN
RMSGECQSPHCPGTSAEFFFKCGAHPTTPVALHLIATNSRNITCITCTDV
RSPVLVFQCNSRHVICLDCFHLYCVTRLNDRQFVHDPQLGYSLPCVAGCP
NSLIKELHHFRILGEEQYNRYQQYGAEECVLQMGGVLCPRPGCGAGLLPE
PDQRKVTCEGGCGFAFCRECKEAYHEGECSAYRVDERAAEQARWEAASKE
TIKKTTKPCPRCHVPVEKNGGCMHMKCPQPQCRLEWCWNCGCEWNRVCMG
DHWFDV

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: 4i1f Chain A Residue 507

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4i1f Structure and function of Parkin E3 ubiquitin ligase reveals aspects of RING and HECT ligases.
• Resolution: 1.58 Å
• Binding residue (original residue number in PDB): C418 C421 C436 C441
• Binding residue (residue number reindexed from 1): C259 C262 C277 C282
• 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:4i1f, PDBe:4i1f, PDBj:4i1f
• PDBsum: 4i1f
• PubMed: 23770887
• UniProt: O60260|PRKN_HUMAN E3 ubiquitin-protein ligase parkin (Gene Name=PRKN)