Structure of PDB 4ncz Chain B Binding Site BS01

Receptor Information

>4ncz Chain B (length=169) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961)

NSQLTLRALERGDLRFIHNLNNNRNIMSYWFEEPYESFDELEELYNKHIH
DNAERRFVVEDAQKNLIGLVELIEINYIHRSAEFQIIIAPEHQGKGFART
LINRALDYSFTILNLHKIYLHVAVENPKAVHLYEECGFVEEGHLVEEFFI
NGRYQDVKRMYILQSKYLN

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 4ncz Chain B Residue 304

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ncz A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
• Resolution: 1.89 Å
• Binding residue (original residue number in PDB): E33 E75
• Binding residue (residue number reindexed from 1): E32 E74
• 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:0046872 metal ion binding

Biological Process

• GO:0006598 polyamine catabolic process
• GO:0046203 spermidine catabolic process
• GO:0046208 spermine catabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:4ncz, PDBe:4ncz, PDBj:4ncz
• PDBsum: 4ncz
• PubMed: 25623305
• UniProt: Q9KL03|ATDA_VIBCH Spermidine N(1)-acetyltransferase (Gene Name=speG)