Structure of PDB 6e1x Chain D Binding Site BS01

Receptor Information
>6e1x Chain D (length=176) 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]
SNAMNSQLTLRALERGDLRFIHNLNNNRNIMSYWFEEPYESFDELEELYN
KHIHDNAERRFVVEDAQKNLIGLVELIEINYIHRSAEFQIIIAPEHQGKG
FARTLINRALDYSFTILNLHKIYLHVAVENPKAVHLYEECGFVEEGHLVE
EFFINGRYQDVKRMYILQSKYLNRSE
Ligand information
Ligand IDSP5
InChIInChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
InChIKeyGUNURVWAJRRUAV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(NCCCNCCCCNCCCN)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)NCCCNCCCCNCCCN
FormulaC12 H28 N4 O
NameN-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide;
N1-AcSpermine
ChEMBLCHEMBL131004
DrugBank
ZINCZINC000003870097
PDB chain6e1x Chain D Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6e1x Crystal structure of product-bound complex of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		W31 Q86
Binding residue
(residue number reindexed from 1)		W34 Q89
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:6e1x, PDBe:6e1x, PDBj:6e1x
PDBsum6e1x
PubMed
UniProtQ9KL03|ATDA_VIBCH Spermidine N(1)-acetyltransferase (Gene Name=speG)

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