Structure of PDB 6k80 Chain A Binding Site BS02

Receptor Information
>6k80 Chain A (length=213) Species: 7227 (Drosophila melanogaster) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMPYTIELIQPEDGEAVIAMLKTFFFKDEPLNTFLDLGECKELEKYSLK
PLPDNCSYKAVNKKGEIIGVFLNGLMRRPSPDDVPEKAADSCEHPKFKKI
LSLMDHVEEQFNIFDVYPDEELILDGKILSVDTNYRGLGIAGRLTERAYE
YMRENGINVYHVLCSSHYSARVMEKLGFHEVFRMQFADYKPQGEVVFKPA
APHVGIQVMAKEV
Ligand information
Ligand IDZCW
InChIInChI=1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2
InChIKeyMBBOMCVGYCRMEA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OCCc1c[nH]c2ccccc12
ACDLabs 12.01OCCc2c1ccccc1nc2
OpenEye OEToolkits 1.7.6c1ccc2c(c1)c(c[nH]2)CCO
FormulaC10 H11 N O
Name2-(1H-indol-3-yl)ethanol
ChEMBLCHEMBL226545
DrugBank
ZINCZINC000000003252
PDB chain6k80 Chain A Residue 302 [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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PDB6k80 An essential role of acetyl coenzyme A in the catalytic cycle of insect arylalkylamine N-acetyltransferase.
Resolution1.28 Å
Binding residue
(original residue number in PDB)		F43 E47 N50 L61 F114 I117 M121 I145 L180
Binding residue
(residue number reindexed from 1)		F26 E30 N33 L44 F97 I100 M104 I128 L163
Annotation score3
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:6k80, PDBe:6k80, PDBj:6k80
PDBsum6k80
PubMed32796911
UniProtQ94521|DNAT_DROME Arylalkylamine N-acetyltransferase 1 (Gene Name=speck)

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