Structure of PDB 3o1u Chain A Binding Site BS03

Receptor Information

>3o1u Chain A (length=202) Species: 83333 (Escherichia coli K-12)

EPLAAGAVILRRFAFNAAEQLIRDINDVASQSPFRQMVTPGGYTMSVAMT
NCGHLGWTTHRQGYLYSPIDPQTNKPWPAMPQSFHNLCQRAATAAGYPDF
QPDACLINRYAPGAKLCLHQDKDEPDLRAPIVSVSLGLPAIFQFGGLKRN
DPLKRLLLEHGDVVVWGGESRLFYHGIQPLKAGFHPLTIDCRYNLTFRQA
GK

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 3o1u Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3o1u Iron-catalysed oxidation intermediates captured in a DNA repair dioxygenase.
• Resolution: 1.54 Å
• Binding residue (original residue number in PDB): H131 D133 H187
• Binding residue (residue number reindexed from 1): H119 D121 H175
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.11.33: DNA oxidative demethylase.

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0008198 ferrous iron binding
• GO:0035515 oxidative RNA demethylase activity
• GO:0035516 broad specificity oxidative DNA demethylase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Biological Process

• GO:0006281 DNA repair
• GO:0006307 DNA alkylation repair
• GO:0035513 oxidative RNA demethylation
• GO:0042245 RNA repair
• GO:0070989 oxidative demethylation
• GO:0072702 response to methyl methanesulfonate

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3o1u, PDBe:3o1u, PDBj:3o1u
• PDBsum: 3o1u
• PubMed: 21068844
• UniProt: P05050|ALKB_ECOLI Alpha-ketoglutarate-dependent dioxygenase AlkB (Gene Name=alkB)