Structure of PDB 3af9 Chain X Binding Site BS01

Receptor Information

>3af9 Chain X (length=171) Species: 9796 (Equus caballus)

SQIRQNYSTEVEAAVNRLVNLYLRASYTYLSLGFYFDRDDVALEGVAHFF
RELAEEKREGAERLLKMQNQRGGRALFQDLQKPSQDEWGTTLDAMKAAIV
LEKSLNQALLDLHALGSAQADPHLCDFLESHFLDEEVKLIKKMGDHLTNI
QRLVGSQAGLGEYLFERLTLK

Ligand information

• Ligand ID: PLL
• InChI: InChI=1S/C3H5.Pd/c1-3-2;/h3H,1-2H2;
• InChIKey: WTWGCTVOVPTEEU-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: [Pd].CCC
  OpenEye OEToolkits 2.0.7: C1C2[Pd]1C2
  ACDLabs 10.04: [Pd]21CC1C2
• Formula: C3 H5 Pd
• Name: Palladium(II) allyl complex
• PDB chain: 3af9 Chain X Residue 179

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3af9 Mechanism of Accumulation and Incorporation of Organometallic Pd Complexes into the Protein Nanocage of apo-Ferritin.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): H114 C126 E130
• Binding residue (residue number reindexed from 1): H113 C125 E129
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0008198 ferrous iron binding
• GO:0008199 ferric iron binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006826 iron ion transport
• GO:0006879 intracellular iron ion homeostasis
• GO:0006880 intracellular sequestering of iron ion

Cellular Component

• GO:0005737 cytoplasm
• GO:0005764 lysosome
• GO:0005776 autophagosome
• GO:0031410 cytoplasmic vesicle
• GO:0044754 autolysosome
• GO:0070288 ferritin complex

External links

• PDB: RCSB:3af9, PDBe:3af9, PDBj:3af9
• PDBsum: 3af9
• PubMed: 20586408
• UniProt: P02791|FRIL_HORSE Ferritin light chain (Gene Name=FTL)