Structure of PDB 7rue Chain C Binding Site BS02

Receptor Information

>7rue Chain C (length=340) Species: 83333 (Escherichia coli K-12)

DLRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGNDDRLLV
VIGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRTTVGWKG
LINDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITPQYLADL
MSWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAINAAGAP
HCFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVKEGLNKA
GLPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVMVESHLV
EGNQSLEPLAYGKSITDACIGWEDTDALLRQLANAVKARR

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: 7rue Chain C Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7rue An Inhibitor-in-Pieces Approach to DAHP Synthase Inhibition: Potent Enzyme and Bacterial Growth Inhibition.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): C61 H268 E302 D326
• Binding residue (residue number reindexed from 1): C55 H262 E296 D317
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.

Gene Ontology

Molecular Function

• GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
• GO:0016740 transferase activity
• GO:0042802 identical protein binding

Biological Process

• GO:0008652 amino acid biosynthetic process
• GO:0009058 biosynthetic process
• GO:0009073 aromatic amino acid family biosynthetic process
• GO:0009423 chorismate biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:7rue, PDBe:7rue, PDBj:7rue
• PDBsum: 7rue
• PubMed: 34761906
• UniProt: P0AB91|AROG_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (Gene Name=aroG)