Structure of PDB 8a9n Chain B Binding Site BS02

Receptor Information
>8a9n Chain B (length=149) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHMIVRRATYEDLSQLAVLFDEYRQFYGASSNLEESHHFLKQRFENKESV
FFIHIKDEKITGFVLLYLGFSSVACSTYYILDDVYVTPLFRRQGSAKQLI
DTAILFAKQENALRISLETQSNNHESHRLFEKMGFIRDSEFQTFHCFLK
Ligand information
Ligand ID13D
InChIInChI=1S/C3H10N2/c4-2-1-3-5/h1-5H2
InChIKeyXFNJVJPLKCPIBV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CN)CN
ACDLabs 10.04
CACTVS 3.341		NCCCN
FormulaC3 H10 N2
Name1,3-DIAMINOPROPANE
ChEMBLCHEMBL174324
DrugBank
ZINCZINC000005828682
PDB chain8a9n Chain B Residue 204 [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)		Y25 E116
Binding residue
(residue number reindexed from 1)		Y27 E118
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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