Structure of PDB 4ncz Chain C Binding Site BS01

Receptor Information
>4ncz Chain C (length=170) Species: 243277 (Vibrio cholerae O1 biovar El Tor str. N16961) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QLTLRALERGDLRFIHNLNNNRNIMSYWFEEPYESFDELEELYNKHIHDN
AERRFVVEDAQKNLIGLVELIEINYIHRSAEFQIIIAPEHQGKGFARTLI
NRALDYSFTILNLHKIYLHVAVENPKAVHLYEECGFVEEGHLVEEFFING
RYQDVKRMYILQSKYLNRSE
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4ncz Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4ncz A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
Resolution1.89 Å
Binding residue
(original residue number in PDB)
E33 E75
Binding residue
(residue number reindexed from 1)
E30 E72
Annotation score1
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

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Molecular Function

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Biological Process

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Cellular Component
External links
PDB RCSB:4ncz, PDBe:4ncz, PDBj:4ncz
PDBsum4ncz
PubMed25623305
UniProtQ9KL03|ATDA_VIBCH Spermidine N(1)-acetyltransferase (Gene Name=speG)

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