Structure of PDB 3mnn Chain G Binding Site BS04

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 IDMML
InChIInChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChIKeyHFPZCAJZSCWRBC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CC(C)c1ccc(C)cc1
ACDLabs 12.01c1cc(ccc1C(C)C)C
OpenEye OEToolkits 1.7.0Cc1ccc(cc1)C(C)C
FormulaC10 H14
Name1-methyl-4-(1-methylethyl)benzene;
p-cymene
ChEMBLCHEMBL442915
DrugBank
ZINCZINC000000968246
PDB chain3mnn Chain G Residue 2002 [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]
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 L65
Binding residue
(residue number reindexed from 1)		E48 E51 L52
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:3mnn, PDBe:3mnn, PDBj:3mnn
PDBsum3mnn
PubMed21344528
UniProtP06897|H2A1_XENLA Histone H2A type 1

[Back to BioLiP]