Structure of PDB 4r9m Chain A Binding Site BS01

Receptor Information

>4r9m Chain A (length=169) Species: 83333 (Escherichia coli K-12)

MPSAHSVKLRPLEREDLRYVHQLDSVMRYWFEEPYEAFVELSDLYDKHIH
DQSERRFVVECDGEKAGLVELVEINHVHRRAEFQIIISPEYQGKGLATRA
AKLAMDYGFTVLNLYKLYLIVDKENEKAIHIYRKLGFSVEGELMHEFFIN
GQYRNAIRMCIFQHQYLAE

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4r9m Chain A Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4r9m Analysis of crystalline and solution states of ligand-free spermidine N-acetyltransferase (SpeG) from Escherichia coli.
• Resolution: 2.9 Å
• Binding residue (original residue number in PDB): E35 E76
• Binding residue (residue number reindexed from 1): E32 E73
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.1.57: diamine N-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004145 diamine N-acetyltransferase activity
• GO:0016746 acyltransferase activity
• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006598 polyamine catabolic process
• GO:0015936 coenzyme A metabolic process
• GO:0046203 spermidine catabolic process
• GO:0046208 spermine catabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0032991 protein-containing complex
• GO:1990235 diamine N-acetyltransferase complex

External links

• PDB: RCSB:4r9m, PDBe:4r9m, PDBj:4r9m
• PDBsum: 4r9m
• PubMed: 31205017
• UniProt: P0A951|ATDA_ECOLI Spermidine N(1)-acetyltransferase (Gene Name=speG)