Structure of PDB 4kgc Chain G Binding Site BS03

Receptor Information
>4kgc Chain G (length=106) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKTRSSRAGLQFPVGRVHRLLRKGNYAERVGAGAPVYLAAVLEYLTAEIL
ELAGNAARDNKKTRIIPRHLQLAVRNDEELNKLLGRVTIAQGGVLPNIQS
VLLPKK
Ligand information
Ligand IDHRU
InChIInChI=1S/C10H14.C2H8N2.Ru/c1-8(2)10-6-4-9(3)5-7-10;3-1-2-4;/h4-8H,1-3H3;1-4H2;/q;;
InChIKeyONRAUXPVDLKQOB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01C7[NH2+][Ru]65432(C1C6C5(C4C3C12C(C)C)C)[NH2+]C7
CACTVS 3.370[Ru]|1|2|3|4|5|6(|NCCN|1)|C7C|2C|3(C|4C|5C|67C)C(C)C
OpenEye OEToolkits 1.7.6CC(C)C12C3[Ru]14567(C3C4(C5C62)C)[NH2+]CC[NH2+]7
FormulaC12 H22 N2 Ru
Name(ethane-1,2-diamine-kappa~2~N,N')[(1,2,3,4,5,6-eta)-1-methyl-4-(propan-2-yl)cyclohexane-1,2,3,4,5,6-hexayl]ruthenium
ChEMBL
DrugBank
ZINC
PDB chain4kgc Chain G Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4kgc Ligand substitutions between ruthenium-cymene compounds can control protein versus DNA targeting and anticancer activity
Resolution2.69 Å
Binding residue
(original residue number in PDB)		E61 E64
Binding residue
(residue number reindexed from 1)		E48 E51
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

View graph for
Molecular Function
View graph for
Cellular Component
External links
PDB RCSB:4kgc, PDBe:4kgc, PDBj:4kgc
PDBsum4kgc
PubMed24637564
UniProtQ6AZJ8

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