Structure of PDB 5xf6 Chain G Binding Site BS03

Receptor Information

>5xf6 Chain G (length=106) Species: 8355 (Xenopus laevis)

AKTRSSRAGLQFPVGRVHRLLRKGNYAERVGAGAPVYLAAVLEYLTAEIL
ELAGNAARDNKKTRIIPRHLQLAVRNDEELNKLLGRVTIAQGGVLPNIQS
VLLPKK

Ligand information

• Ligand ID: RUD
• InChI: InChI=1S/C10H12O2.C6H12N3P.2ClH.Ru/c1-8-2-4-9(5-3-8)6-7-10(11)12;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h2-5H,6-7H2,1H3,(H,11,12);1-6H2;2*1H;/q;;;;+1/p-1
• InChIKey: UZIJOIXYBLAWLW-UHFFFAOYSA-M
• SMILES:
  ACDLabs 12.01: [Ru](P13CN2CN(C1)CN(C2)C3)(Cl)Cl.c1(C)ccc(cc1)CCC(=O)O
  OpenEye OEToolkits 2.0.4: Cc1ccc(cc1)CCC(=O)O.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl
  CACTVS 3.385: Cc1ccc(CCC(O)=O)cc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
• Formula: C16 H24 Cl2 N3 O2 P Ru
• Name: [ethane6-3-(p-tolyl)propanoic acid]Ru(1,3,5-triaza-7-phosphaadamantane)Cl2
• PDB chain: 5xf6 Chain G Residue 202

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5xf6 Nucleosome acidic patch-targeting binuclear ruthenium compounds induce aberrant chromatin condensation
• Resolution: 2.63 Å
• Binding residue (original residue number in PDB): E61 E64
• Binding residue (residue number reindexed from 1): E48 E51
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0030527 structural constituent of chromatin
• GO:0046982 protein heterodimerization activity

Cellular Component

• GO:0000786 nucleosome
• GO:0005634 nucleus
• GO:0005694 chromosome

External links

• PDB: RCSB:5xf6, PDBe:5xf6, PDBj:5xf6
• PDBsum: 5xf6
• PubMed: 29146919
• UniProt: P06897|H2A1_XENLA Histone H2A type 1