Structure of PDB 1kny Chain B Binding Site BS01

Receptor Information
>1kny Chain B (length=253) Species: 1280 (Staphylococcus aureus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MNGPIIMTREERMKIVHEIKERILDKYGDDVKAIGVYGSLGRQTDGPYSD
IEMMCVMSTEEAEFSHEWTTGEWKVEVNFYSEEILLDYASQVESDWPLTH
GQFFSILPIYDSGGYLEKVYQTAKSVEAQTFHDAICALIVEELFEYAGKW
RNIRVQGPTTFLPSLTVQVAMAGAMLIGLHHRICYTTSASVLTEAVKQSD
LPSGYDHLCQFVMSGQLSDSEKLLESLENFWNGIQEWTERHGYIVDVSKR
IPF
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 chain1kny Chain B Residue 604 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1kny Structural investigation of the antibiotic and ATP-binding sites in kanamycin nucleotidyltransferase.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D50 E52
Binding residue
(residue number reindexed from 1)		D50 E52
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D50 E52 E145 K149
Catalytic site (residue number reindexed from 1) D50 E52 E145 K149
Enzyme Commision number 2.7.7.-
Gene Ontology
Molecular Function
GO:0016740 transferase activity
GO:0016779 nucleotidyltransferase activity
Biological Process
GO:0046677 response to antibiotic

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Molecular Function
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Biological Process
External links
PDB RCSB:1kny, PDBe:1kny, PDBj:1kny
PDBsum1kny
PubMed7577914
UniProtP05057|KANU_STAAU Kanamycin nucleotidyltransferase (Gene Name=knt)

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