Structure of PDB 2pau Chain B Binding Site BS01

Receptor Information

>2pau Chain B (length=177) Species: 83333 (Escherichia coli K-12)

KQSHFFAHLSRLKLINRWPLMRNVRTENVSEHSLQVAMVAHALAAIKNRK
FGGNVNAERIALLAMYHDASAVLTGDLPTPAQEYKAIEKIAQQKLVDMVP
EELRDIFAPLIDEHAYSDEEKSLVKQADALCAYLKCLEELAAGNNEFLLA
KTRLEATLEARRSQEMDYFMEIFVPSF

Ligand information

• Ligand ID: CO
• InChI: InChI=1S/Co/q+2
• InChIKey: XLJKHNWPARRRJB-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Co+2]
  CACTVS 3.341: [Co++]
• Formula: Co
• Name: COBALT (II) ION
• DrugBank: DB14205
• PDB chain: 2pau Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pau Structural insight into the mechanism of substrate specificity and catalytic activity of an HD-domain phosphohydrolase: the 5'-deoxyribonucleotidase YfbR from Escherichia coli.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): H33 H68 D69 D137
• Binding residue (residue number reindexed from 1): H32 H67 D68 D128
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.89: 5'-deoxynucleotidase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0002953 5'-deoxynucleotidase activity
• GO:0016787 hydrolase activity
• GO:0016791 phosphatase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding
• GO:0050340 thymidylate 5'-phosphatase activity
• GO:0050897 cobalt ion binding

Biological Process

• GO:0006226 dUMP biosynthetic process
• GO:0010139 pyrimidine deoxyribonucleotide salvage

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:2pau, PDBe:2pau, PDBj:2pau
• PDBsum: 2pau
• PubMed: 18353368
• UniProt: P76491|5DNU_ECOLI 5'-deoxynucleotidase YfbR (Gene Name=yfbR)