Structure of PDB 4mi4 Chain B Binding Site BS01

Receptor Information
>4mi4 Chain B (length=168) 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]
SQLTLRALERGDLRFIHNLNNNRNIMSYWFEEPYESFDELEELYNKHIHD
NAERRFVVEDAQKNLIGLVELIEINYIHRSAEFQIIIAPEHQGKGFARTL
INRALDYSFTILNLHKIYLHVAVENPKAVHLYEECGFVEEGHLVEEFFIN
GRYQDVKRMYILQSKYLN
Ligand information
Ligand IDSPM
InChIInChI=1S/C10H26N4/c11-5-3-9-13-7-1-2-8-14-10-4-6-12/h13-14H,1-12H2
InChIKeyPFNFFQXMRSDOHW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		NCCCNCCCCNCCCN
OpenEye OEToolkits 1.5.0C(CCNCCCN)CNCCCN
FormulaC10 H26 N4
NameSPERMINE
ChEMBLCHEMBL23194
DrugBankDB00127
ZINCZINC000001532734
PDB chain4mi4 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4mi4 A Novel Polyamine Allosteric Site of SpeG from Vibrio cholerae Is Revealed by Its Dodecameric Structure.
Resolution1.848 Å
Binding residue
(original residue number in PDB)		N22 E33 E34 Y36 E37 E41
Binding residue
(residue number reindexed from 1)		N20 E31 E32 Y34 E35 E39
Annotation score5
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:4mi4, PDBe:4mi4, PDBj:4mi4
PDBsum4mi4
PubMed25623305
UniProtQ9KL03|ATDA_VIBCH Spermidine N(1)-acetyltransferase (Gene Name=speG)

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