Structure of PDB 3mnn Chain F Binding Site BS05

Receptor Information
>3mnn Chain F (length=87) Species: 8355 (Xenopus laevis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRHRKVLRDNIQGITKPAIRRLARRGGVKRISGLIYEETRGVLKVFLENV
IRDAVTYTEHAKRKTVTAMDVVYALKRQGRTLYGFGG
Ligand information
Ligand IDPTW
InChIInChI=1S/C6H12N3P/c1-7-2-9-3-8(1)5-10(4-7)6-9/h1-6H2
InChIKeyFXXRPTKTLVHPAR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01N13CN2CN(CP(C1)C2)C3
CACTVS 3.370
OpenEye OEToolkits 1.7.0		C1N2CN3CN1CP(C2)C3
FormulaC6 H12 N3 P
Name1,3,5-triaza-7-phosphatricyclo[3.3.1.1~3,7~]decane;
1,3,5-Triaza-7-phosphaadamantane
ChEMBL
DrugBank
ZINCZINC000019318998
PDB chain3mnn Chain F Residue 2003 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3mnn A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Resolution2.5 Å
Binding residue
(original residue number in PDB)		K59 V60 E63
Binding residue
(residue number reindexed from 1)		K44 V45 E48
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
Biological Process
GO:0006334 nucleosome assembly
Cellular Component
GO:0000786 nucleosome
GO:0005634 nucleus
GO:0005694 chromosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3mnn, PDBe:3mnn, PDBj:3mnn
PDBsum3mnn
PubMed21344528
UniProtP62799|H4_XENLA Histone H4

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