Structure of PDB 4n57 Chain B Binding Site BS01

Receptor Information
>4n57 Chain B (length=297) Species: 37734 (Enterococcus casseliflavus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRTYTFDQVEKAIEQLYPDFTINTIQISGKGNDCIAYEINRDFIFKFPKH
SRGSTNLFNEVNILKRIHNKLPLPIPEVVFTGMPSETYQMSFAGFTKIKG
VPLTPLLLNNLPKQSQNQAAKDLARFLSELHSINISGFKSNLVLDFREKI
NEDNKKIKKLLSRELKGPQMKKVDDFYRDILENEIYFKYYPCLIHNDFSS
DHILFDTEKNTICGIIDFGDAAISDPDNDFISLMEDDEEYGMEFVSKILN
HYKHKDIPTVLEKYRMKEKYWSFEKIIYGKEYGYMDWYEEGLNEIRS
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 chain4n57 Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4n57 Crystal structure of aminoglycoside phosphotransferase APH(2'')-IVa ADP complex
Resolution2.35 Å
Binding residue
(original residue number in PDB)		H202 D217
Binding residue
(residue number reindexed from 1)		H202 D217
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) K46
Catalytic site (residue number reindexed from 1) K46
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4n57, PDBe:4n57, PDBj:4n57
PDBsum4n57
PubMed
UniProtO68183

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