Structure of PDB 6iq4 Chain G Binding Site BS03

Receptor Information
>6iq4 Chain G (length=106) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKTRSSRAGLQFPVGRVHRLLRKGNYSERVGAGAPVYLAAVLEYLTAEIL
ELAGNAARDNKKTRIIPRHLQLAIRNDEELNKLLGRVTIAQGGVLPNIQA
VLLPKK
Ligand information
Ligand IDD0X
InChIInChI=1S/C10H10.C6H12N3P.2ClH.Ru/c1-8(2)10-6-4-9(3)5-7-10;1-7-2-9-3-8(1)5-10(4-7)6-9;;;/h8H,1-3H3;1-6H2;2*1H;/q;;;;+1/p-1
InChIKeyHCFRVYRXZWDWIV-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC(C)C12=C3[Ru]1456(C2=C4C5(=C63)C)([P]78CN9CN(C7)CN(C9)C8)(Cl)Cl
CACTVS 3.385CC(C)C1=CC=C(C)C=C1.Cl[Ru]Cl.C2N3CN4CN2CP(C3)C4
FormulaC16 H22 Cl2 N3 P Ru
Name[Ru(eta(6)-p-cymene)Cl-2(pta)
ChEMBL
DrugBank
ZINC
PDB chain6iq4 Chain G Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6iq4 Crosslinking Allosteric Sites on the Nucleosome.
Resolution2.25 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

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Molecular Function
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Cellular Component
External links
PDB RCSB:6iq4, PDBe:6iq4, PDBj:6iq4
PDBsum6iq4
PubMed31478581
UniProtP04908|H2A1B_HUMAN Histone H2A type 1-B/E (Gene Name=H2AC4)

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