Structure of PDB 5tk9 Chain A Binding Site BS01

Receptor Information
>5tk9 Chain A (length=191) Species: 1404 (Priestia megaterium) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSLLDIIYQLRQVPRWDGSFQFEKEDVSQHSFSVIAISHILCELKETLEG
KKINKEKLLLYALYHDVTEVVSTHIISPVKKNSILKDPFNAFREQIKNSL
FDNLPITLSDTLSTILNNNDLEIQEIVEHADHVDAYCKSCIEVHRGNKDF
ISIQRSLGDKLDNLTKEYPYLKEFQNLFLKDFPLENKNYRY
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 chain5tk9 Chain A Residue 201 [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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PDB5tk9 An HD domain phosphohydrolase active site tailored for oxetanocin-A biosynthesis.
Resolution1.843 Å
Binding residue
(original residue number in PDB)		H31 H66 D67 D132
Binding residue
(residue number reindexed from 1)		H30 H65 D66 D131
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5tk9, PDBe:5tk9, PDBj:5tk9
PDBsum5tk9
PubMed27849620
UniProtO24769

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