Structure of PDB 6e1x Chain B Binding Site BS01

Receptor Information
>6e1x Chain B (length=169) 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]
NSQLTLRALERGDLRFIHNLNNNRNIMSYWFEEPYESFDELEELYNKHIH
DNAERRFVVEDAQKNLIGLVELIEINYIHRSAEFQIIIAPEHQGKGFART
LINRALDYSFTILNLHKIYLHVAVENPKAVHLYEECGFVEEGHLVEEFFI
NGRYQDVKRMYILQSKYLN
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 B 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 H122 E148 F149
Binding residue
(residue number reindexed from 1)		W30 Q85 H121 E147 F148
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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