Structure of PDB 5u7f Chain A Binding Site BS04

Receptor Information

>5u7f Chain A (length=144) Species: 83334 (Escherichia coli O157:H7)

VYKRPVSILVVIYAQDTKRVLMLQRRDDPDFWQSVTGSVEEGETAPQAAM
REVKEEVTIDVVAEQLTLIDCQRTVEFEIFSHLRHRYAPGVTRNTESWFC
LALPHERQIVFTEHLAYKWLDAPAAAALTKSWSNRQAIEQFVIN

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: 5u7f Chain A Residue 205

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5u7f Metal ion coordination in the E. coli Nudix hydrolase dihydroneopterin triphosphate pyrophosphatase: New clues into catalytic mechanism.
• Resolution: 1.789 Å
• Binding residue (original residue number in PDB): T40 G41 E60 E117
• Binding residue (residue number reindexed from 1): T36 G37 E56 E113
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.67: dihydroneopterin triphosphate diphosphatase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008828 dATP diphosphatase activity
• GO:0016787 hydrolase activity
• GO:0019177 dihydroneopterin triphosphate pyrophosphohydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0046654 tetrahydrofolate biosynthetic process
• GO:0046656 folic acid biosynthetic process

External links

• PDB: RCSB:5u7f, PDBe:5u7f, PDBj:5u7f
• PDBsum: 5u7f
• PubMed: 28742822
• UniProt: P0AFC0|NUDB_ECOLI Dihydroneopterin triphosphate diphosphatase (Gene Name=nudB)