Structure of PDB 3wr7 Chain D Binding Site BS01

Receptor Information
>3wr7 Chain D (length=170) Species: 1335916 (Escherichia coli LY180) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HSVKLRPLEREDLRYVHQLDNNASVMRYWFEEPYEAFVELSDLYDKHIHD
QSERRFVVECDGEKAGLVELVEINHVHRRAEFQIIISPEYQGKGLATRAA
KLAMDYGFTVLNLYKLYLIVDKENEKAIHIYRKLGFSVEGELMHEFFING
QYRNAIRMCIFQHQYLAEHK
Ligand information
Ligand IDSPD
InChIInChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
InChIKeyATHGHQPFGPMSJY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CCNCCCN)CN
ACDLabs 10.04NCCCNCCCCN
CACTVS 3.341NCCCCNCCCN
FormulaC7 H19 N3
NameSPERMIDINE;
N-(2-AMINO-PROPYL)-1,4-DIAMINOBUTANE;
PA(34)
ChEMBLCHEMBL19612
DrugBankDB03566
ZINCZINC000001532612
PDB chain3wr7 Chain D Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3wr7 Molecular mechanism underlying promiscuous polyamine recognition by spermidine acetyltransferase
Resolution2.5 Å
Binding residue
(original residue number in PDB)		E33 Y36 E41
Binding residue
(residue number reindexed from 1)		E31 Y34 E39
Annotation score2
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004145 diamine N-acetyltransferase activity
GO:0016746 acyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:3wr7, PDBe:3wr7, PDBj:3wr7
PDBsum3wr7
PubMed27163532
UniProtA0A0M3KKU5

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