Structure of PDB 1kfl Chain F Binding Site BS01

Receptor Information

>1kfl Chain F (length=350) Species: 562 (Escherichia coli)

MNYQNDDLRIKEIKELLPPVALLEKFPATENAANTVAHARKAIHKILKGN
DDRLLVVIGPCSIHDPVAAKEYATRLLALREELKDELEIVMRVYFEKPRT
TVGWKGLINDPHMDNSFQINDGLRIARKLLLDINDSGLPAAGEFLDMITP
QYLADLMSWGAIGARTTESQVHRELASGLSCPVGFKNGTDGTIKVAIDAI
NAAGAPHCFLSVTKWGHSAIVNTSGNGDCHIILRGGKEPNYSAKHVAEVK
EGLNKAGLPAQVMIDFSHANSSKQFKKQMDVCADVCQQIAGGEKAIIGVM
VESHLVEGNQSLESGEPLAYGKSITDACIGWEDTDALLRQLANAVKARRG

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: 1kfl Chain F Residue 6351

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1kfl Allosteric inhibition of 3-deoxy-D-arabino-heptulosonate-7-phosphate synthase alters the coordination of both substrates.
• Resolution: 2.8 Å
• Binding residue (original residue number in PDB): C61 K97 H268 E302 D326
• Binding residue (residue number reindexed from 1): C61 K97 H268 E302 D326
• 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:1kfl, PDBe:1kfl, PDBj:1kfl
• PDBsum: 1kfl
• PubMed: 12126632
• UniProt: P0AB91|AROG_ECOLI Phospho-2-dehydro-3-deoxyheptonate aldolase, Phe-sensitive (Gene Name=aroG)