Structure of PDB 6xxq Chain A Binding Site BS01

Receptor Information
>6xxq Chain A (length=248) Species: 1351 (Enterococcus faecalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NTYEQINKVKKILRKHLKNNLIGTYMFGSGVESGLKPNSDLDFLVVVSEP
LTDQSKEILIQKIRPISKKIGDKSNLRYIELTIIIQQEMVPWNHPPKQEF
IYGEWLQELYEQGYIPQKELNSDLTIMLYQAKRKNKRIYGNYDLEELLPD
IPFSDVRRAIMDSSEELIDNYQDDETNSILTLCRMILTMDTGKIIPKDIA
GNAVAESSPLEHRERILLAVRSYLGENIEWTNENVNLTINYLNNRLKK
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain6xxq Chain A Residue 302 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6xxq Structural Recognition of Spectinomycin by Resistance Enzyme ANT(9) from Enterococcus faecalis.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		S35 D46 D48
Binding residue
(residue number reindexed from 1)		S29 D40 D42
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
Biological Process
GO:0046677 response to antibiotic

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6xxq, PDBe:6xxq, PDBj:6xxq
PDBsum6xxq
PubMed32253216
UniProtQ07448|S9AD_ENTFL Spectinomycin 9-adenylyltransferase (Gene Name=spc)

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