Structure of PDB 7dak Chain A Binding Site BS02

Receptor Information
>7dak Chain A (length=146) Species: 39947 (Oryza sativa Japonica Group) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EELVLLERTLEQIIFSSAGDVNVYDLQALCDKVGWPRRPLTKIAASLRNS
YLVATLHSVTKQLIGMARATSDHAFNATIWDVLVDPSYQGQGLGKALMEK
VIRTLLQRDISNITLFADNKVVDFYKNLGFEADPQGIKGMFWYPRF
Ligand information
Ligand IDF5U
InChIInChI=1S/C11H14N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4-5,12H2,1H3
InChIKeyJTEJPPKMYBDEMY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7COc1ccc2c(c1)c(c[nH]2)CCN
CACTVS 3.385COc1ccc2[nH]cc(CCN)c2c1
FormulaC11 H14 N2 O
Name2-(5-methoxy-1H-indol-3-yl)ethanamine;
5-Methoxytryptamine
ChEMBLCHEMBL8165
DrugBank
ZINCZINC000000057163
PDB chain7dak Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB7dak Structural and Molecular Dynamics Analysis of Plant Serotonin N-Acetyltransferase Reveal an Acid/Base-Assisted Catalysis in Melatonin Biosynthesis.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W188 D226
Binding residue
(residue number reindexed from 1)		W80 D118
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.87: aralkylamine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0008080 N-acetyltransferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:7dak, PDBe:7dak, PDBj:7dak
PDBsum7dak
PubMed33682300
UniProtQ5KQI6|SNAT1_ORYSJ Serotonin N-acetyltransferase 1, chloroplastic (Gene Name=SNAT1)

[Back to BioLiP]