Structure of PDB 8e0x Chain A Binding Site BS01

Receptor Information

>8e0x Chain A (length=344) Species: 83333 (Escherichia coli K-12)

YQNDDLRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGNDD
RLLVVIGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRTTV
GWKGLINDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITPQY
LADLMSWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAINA
AGAPHCFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVKEG
LNKAGLPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVMVE
SHLVEGNQSLEPLAYGKSITDACIGWEDTDALLRQLANAVKARR

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: 8e0x Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8e0x Role of Half-of-Sites Reactivity and Inter-Subunit Communications in DAHP Synthase Catalysis and Regulation.
• Resolution: 1.97 Å
• Binding residue (original residue number in PDB): C61 H268 E302 D326
• Binding residue (residue number reindexed from 1): C59 H266 E300 D321
• 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:8e0x, PDBe:8e0x, PDBj:8e0x
• PDBsum: 8e0x
• PubMed: 36197914
• UniProt: P0AB91|AROG_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (Gene Name=aroG)