Structure of PDB 3a6u Chain A Binding Site BS01

Receptor Information

>3a6u Chain A (length=126) Species: 83333 (Escherichia coli K-12)

LQIAVGIIRNENNEIFITRRAADAHMANKLEFPGGKIEMGETPEQAVVRE
LQEEVGITPQHFSLFEKLEYEFPDRHITLWFWLVERWEGEPWGKEGQPGE
WMSLVGLNADDFPPANEPVIAKLKRL

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 3a6u Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3a6u Structural and dynamic features of the MutT protein in the recognition of nucleotides with the mutagenic 8-oxoguanine base
• Resolution: 2.56 Å
• Binding residue (original residue number in PDB): G37 E57
• Binding residue (residue number reindexed from 1): G34 E54
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.55: 8-oxo-dGTP diphosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0005515 protein binding
• GO:0008413 8-oxo-7,8-dihydroguanosine triphosphate pyrophosphatase activity
• GO:0016787 hydrolase activity
• GO:0030145 manganese ion binding
• GO:0035539 8-oxo-7,8-dihydrodeoxyguanosine triphosphate pyrophosphatase activity
• GO:0044715 8-oxo-dGDP phosphatase activity
• GO:0044716 8-oxo-GDP phosphatase activity
• GO:0046872 metal ion binding
• GO:0047693 ATP diphosphatase activity

Biological Process

• GO:0006203 dGTP catabolic process
• GO:0006260 DNA replication
• GO:0006281 DNA repair
• GO:0006289 nucleotide-excision repair
• GO:0046067 dGDP catabolic process

External links

• PDB: RCSB:3a6u, PDBe:3a6u, PDBj:3a6u
• PDBsum: 3a6u
• PubMed: 19864691
• UniProt: P08337|MUTT_ECOLI 8-oxo-dGTP diphosphatase (Gene Name=mutT)