Structure of PDB 5dnn Chain H Binding Site BS03

Receptor Information
>5dnn 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 IDRAX
InChIInChI=1S/C7H8.C6H12N3P.2ClH.Ru/c1-7-5-3-2-4-6-7;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h2-6H,1H3;1-6H2;2*1H;/q;;;;+1/p-1
InChIKeyHQZSVEABAKKRLM-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccccc1.C1N2CN3CN1C[P](C2)(C3)[Ru](Cl)Cl
CACTVS 3.385Cc1ccccc1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
FormulaC13 H20 Cl2 N3 P Ru
Namedichloro[(1,2,3,4,5,6-eta)-6-methylbenzene]1,3,5-triaza-7lambda~5~-phosphatricyclo[3.3.1.1~3,7~]dec-7-ylruthenium
ChEMBL
DrugBank
ZINC
PDB chain5dnn Chain H Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5dnn Allosteric cross-talk in chromatin can mediate drug-drug synergy
Resolution2.8 Å
Binding residue
(original residue number in PDB)		E102 H106
Binding residue
(residue number reindexed from 1)		E75 H79
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
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Cellular Component
External links
PDB RCSB:5dnn, PDBe:5dnn, PDBj:5dnn
PDBsum5dnn
PubMed28358030
UniProtP02281|H2B11_XENLA Histone H2B 1.1

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