Structure of PDB 3iwx Chain B Binding Site BS01

Receptor Information

>3iwx Chain B (length=67) Species: 9606 (Homo sapiens)

PKHEFSVDMTCGGCAEAVSRVLNKLGGVKYDIDLPNKKVCIESEHSMDTL
LATLKKTGKTVSYLGLE

Ligand information

• Ligand ID: CPT
• InChI: InChI=1S/2ClH.2H3N.Pt/h2*1H;2*1H3;/q;;;;+2/p-2
• InChIKey: LXZZYRPGZAFOLE-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.7.6: [NH3][Pt]([NH3])(Cl)Cl
  ACDLabs 12.01: [Pt](N)(N)(Cl)Cl
  CACTVS 3.385: N|[Pt](|N)(Cl)Cl
• Formula: Cl2 H6 N2 Pt
• Name: Cisplatin;
  diammine(dichloro)platinum
• DrugBank: DB00515
• PDB chain: 3iwx Chain A Residue 69

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3iwx Crystal structures of cisplatin bound to a human copper chaperone.
• Resolution: 2.14 Å
• Binding residue (original residue number in PDB): T11 C12 C15
• Binding residue (residue number reindexed from 1): T10 C11 C14
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0005507 copper ion binding
• GO:0005515 protein binding
• GO:0016530 metallochaperone activity
• GO:0016531 copper chaperone activity
• GO:0032767 copper-dependent protein binding
• GO:0046872 metal ion binding
• GO:1903136 cuprous ion binding

Biological Process

• GO:0006825 copper ion transport
• GO:0006878 intracellular copper ion homeostasis
• GO:0006979 response to oxidative stress

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3iwx, PDBe:3iwx, PDBj:3iwx
• PDBsum: 3iwx
• PubMed: 19807176
• UniProt: O00244|ATOX1_HUMAN Copper transport protein ATOX1 (Gene Name=ATOX1)