Structure of PDB 5gi6 Chain A Binding Site BS01

Receptor Information
>5gi6 Chain A (length=202) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GSPYTIELIQPEDGEAVIAMLKTFFFKDEPLNTFLDLGECKELEKYSLKP
LPDNCSYKAVNKKGEIIGVFLNGLMRRPSPCEHPKFKKILSLMDHVEEQF
NIFDVYPDEELILDGKILSVDTNYRGLGIAGRLTERAYEYMRENGINVYH
VLCSSHYSARVMEKLGFHEVFRMQFADYKPQGEVVFKPAAPHVGIQVMAK
EV
Ligand information
Ligand IDPEA
InChIInChI=1S/C8H11N/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7,9H2/p+1
InChIKeyBHHGXPLMPWCGHP-UHFFFAOYSA-O
SMILES
SoftwareSMILES
CACTVS 3.341[NH3+]CCc1ccccc1
ACDLabs 10.04c1ccccc1CC[NH3+]
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC[NH3+]
FormulaC8 H12 N
Name2-PHENYLETHYLAMINE
ChEMBL
DrugBank
ZINC
PDB chain5gi6 Chain A Residue 301 [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]
PDB5gi6 Crystal Structure of Drosophila melanogaster Dopamine N-Acetyltransferase Bound to CoA and Phenylethylamine
Resolution1.65 Å
Binding residue
(original residue number in PDB)		E47 L61
Binding residue
(residue number reindexed from 1)		E29 L43
Annotation score5
Enzymatic activity
Enzyme Commision number 2.3.1.87: aralkylamine N-acetyltransferase.
Gene Ontology
Molecular Function
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups

View graph for
Molecular Function
External links
PDB RCSB:5gi6, PDBe:5gi6, PDBj:5gi6
PDBsum5gi6
PubMed
UniProtQ94521|DNAT_DROME Arylalkylamine N-acetyltransferase 1 (Gene Name=speck)

[Back to BioLiP]