Structure of PDB 5luh Chain B Binding Site BS04

Receptor Information
>5luh Chain B (length=265) Species: 90371 (Salmonella enterica subsp. enterica serovar Typhimurium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TLSIPPSIQCQTEAACRLITRVTGDTLRAIHLYGSAVAGGLKPNSDIDLL
VTICQPLTEAQRATLMQELLALSSPPGASAEKRALQVTVVLYSQLVPWCF
PPSREMQFGEWLREDICQGIYEPAQQDWDMVLLITQILETSIPLKGERAE
RLFTPAPAAQLLKALRYPLDLWQSTADVQGDEYHIVLTLARIWYTLSTGR
FTSKDAAADWLLPQLPEDYAATLRAAQREYLGLEQQDWHILLPAVVRFVD
FAKAHIPTQFTHHHH
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5luh Chain B Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5luh Structural mechanism of AadA, a dual-specificity aminoglycoside adenylyltransferase fromSalmonella enterica.
Resolution1.73 Å
Binding residue
(original residue number in PDB)
D47 D49 Q87
Binding residue
(residue number reindexed from 1)
D46 D48 Q86
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.47: streptomycin 3''-adenylyltransferase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0009012 aminoglycoside 3''-adenylyltransferase activity
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
GO:0070566 adenylyltransferase activity
Biological Process
GO:0046677 response to antibiotic

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Molecular Function

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Biological Process
External links
PDB RCSB:5luh, PDBe:5luh, PDBj:5luh
PDBsum5luh
PubMed29871922
UniProtQ8ZPX9|S3AD_SALTY Aminoglycoside (3'') (9) adenylyltransferase (Gene Name=aadA)

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