Structure of PDB 2aro Chain B Binding Site BS01

Receptor Information
>2aro Chain B (length=92) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RKESYSIYVYKVLKQVHPDTGISSKAMGIMNSFVNDIFERIAGEASRLAH
YNKRSTITSREIQTAVRLLLPGELAKHAVSEGTKAVTKYTSS
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain2aro Chain B Residue 502 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2aro The oxidised histone octamer does not form a H3 disulphide bond.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		S55 K57
Binding residue
(residue number reindexed from 1)		S23 K25
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0030527 structural constituent of chromatin
GO:0046982 protein heterodimerization activity
Biological Process
GO:0042742 defense response to bacterium
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:2aro, PDBe:2aro, PDBj:2aro
PDBsum2aro
PubMed16920041
UniProtP0C1H3|H2B1_CHICK Histone H2B 1/2/3/4/6 (Gene Name=H2B-I)

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