Structure of PDB 6lpw Chain B Binding Site BS01

Receptor Information
>6lpw Chain B (length=436) Species: 3702 (Arabidopsis thaliana) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IPLMVEKMLTEMVKPSKHIPQQTLNLSTLDNDPYNEVIYKACYVFKAKNN
RPEALLREALSDLLGYYYPLSGSLKRQESDRKLQLSCGGDGGGVPFTVAT
ANVELSSLKNLENIDSDTALNFLPVLHVDIDGYRPFALQVTKFECGGFIL
GMAMSHAMCDGYGEGHIMCALTDLAGGKKKPMVTPIWERERLVGKPEDDQ
PPFVPGDDTAASPYLPTDDWVTEKITIRADSIRRLKEATLKEYDFSNETI
TTFEVIGAYLWKSRVKALNLDRDGVTVLGLSVGIRNVVDPPLPDGYYGNA
YIDMYVPLTAREVEEFTISDIVKLIKEAKRNAHDKDYLQEELANTEKIIK
MNLTIKGKKDGLFCLTDWRNIGIFGSMDFGWDEPVNIVPVVPSETARTVN
MFMRPSRLESDMVGGVQIVVTLPRIAMVKFKEEMEA
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 chain6lpw Chain B Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6lpw Structural and Biochemical Insights Into Two BAHD Acyltransferases ( At SHT and At SDT) Involved in Phenolamide Biosynthesis.
Resolution2.401 Å
Binding residue
(original residue number in PDB)		Y42 Y47 H169 G292 L293 S294 D316 C377 L378
Binding residue
(residue number reindexed from 1)		Y34 Y39 H156 G279 L280 S281 D303 C364 L365
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.248: spermidine disinapoyl transferase.
Gene Ontology
Molecular Function
GO:0016746 acyltransferase activity
GO:0080072 spermidine:sinapoyl CoA N-acyltransferase activity
GO:0080089 sinapoyl spermidine:sinapoyl CoA N-acyltransferase activity
Biological Process
GO:0006596 polyamine biosynthetic process
GO:0008216 spermidine metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6lpw, PDBe:6lpw, PDBj:6lpw
PDBsum6lpw
PubMed33519864
UniProtO80467|SDT_ARATH Spermidine sinapoyl-CoA acyltransferase (Gene Name=SDT)

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