Structure of PDB 8a9n Chain A Binding Site BS02

Receptor Information
>8a9n Chain A (length=150) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHHMIVRRATYEDLSQLAVLFDEYRQFYGASSNLEESHHFLKQRFENKES
VFFIHIKDEKITGFVLLYLGFSSVACSTYYILDDVYVTPLFRRQGSAKQL
IDTAILFAKQENALRISLETQSNNHESHRLFEKMGFIRDSEFQTFHCFLK
Ligand information
Ligand IDLFU
InChIInChI=1S/C5H12N2O/c1-5(8)7-4-2-3-6/h2-4,6H2,1H3,(H,7,8)
InChIKeyYFZBPSXRYCOKCW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		CC(=O)NCCCN
FormulaC5 H12 N2 O
Name~{N}-(3-azanylpropyl)ethanamide
ChEMBL
DrugBank
ZINCZINC000013511460
PDB chain8a9n Chain A Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8a9n Structure of DpA polyamine acetyltransferase in complex with 1,3-DAP
Resolution1.854 Å
Binding residue
(original residue number in PDB)		Y21 Y25 L79 D80 E116
Binding residue
(residue number reindexed from 1)		Y24 Y28 L82 D83 E119
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
GO:0046872 metal ion binding
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:8a9n, PDBe:8a9n, PDBj:8a9n
PDBsum8a9n
PubMed37316480
UniProtV5VBK4

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