Structure of PDB 4j8x Chain H Binding Site BS03

Receptor Information
>4j8x Chain H (length=95) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KTRKESYAIYVYKVLKQVHPDTGISSKAMSIMNSFVNDVFERIAGEASRL
AHYNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVTKYTSAK
Ligand information
Ligand IDRU7
InChIInChI=1S/C10H14.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;;;/h4-8H,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyUCXDWSTYBSBFFB-UHFFFAOYSA-L
SMILES
SoftwareSMILES
CACTVS 3.370CC(C)C|12=C3|[Ru]|4|5|6|1(Cl)(Cl)|C(=C2|4)C|5(=C3|6)C
OpenEye OEToolkits 1.7.6CC(C)C12=[CH]3[Ru]1456([CH]2=[CH]4C5(=[CH]63)C)(Cl)Cl
ACDLabs 12.01Cl[Ru]65432(Cl)C1=C6C5(=C4C3=C12C(C)C)C
FormulaC10 H14 Cl2 Ru
NamePARA-CYMENE RUTHENIUM CHLORIDE
ChEMBL
DrugBank
ZINC
PDB chain4j8x Chain D Residue 1102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB4j8x Novel metal(II) arene 2-pyridinecarbothioamides: a rationale to orally active organometallic anticancer agents
Resolution2.87 Å
Binding residue
(original residue number in PDB)		F67 E68
Binding residue
(residue number reindexed from 1)		F40 E41
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0005515 protein 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:4j8x, PDBe:4j8x, PDBj:4j8x
PDBsum4j8x
PubMed
UniProtP02281|H2B11_XENLA Histone H2B 1.1

[Back to BioLiP]