Structure of PDB 3mnn Chain G Binding Site BS05

Receptor Information
>3mnn 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 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 G Residue 2003 [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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PDB3mnn A ruthenium antimetastasis agent forms specific histone protein adducts in the nucleosome core
Resolution2.5 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
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Cellular Component
External links
PDB RCSB:3mnn, PDBe:3mnn, PDBj:3mnn
PDBsum3mnn
PubMed21344528
UniProtP06897|H2A1_XENLA Histone H2A type 1

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