Structure of PDB 2pup Chain B Binding Site BS01

Receptor Information
>2pup Chain B (length=370) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YETLNESSAVALAVKLGLTLTCQEIGDNYVFHIYDQERALIIKQAVPWPL
TIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSHLKIARKG
LIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDI
TERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSA
ETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALS
RDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHI
FEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIE
KRSEFKTITDVIELFKLLVK
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 chain2pup Chain B Residue 400 [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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PDB2pup Structures of 5-methylthioribose kinase reveal substrate specificity and unusual mode of nucleotide binding
Resolution2.6 Å
Binding residue
(original residue number in PDB)		D250 E252
Binding residue
(residue number reindexed from 1)		D224 E226
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.1.100: S-methyl-5-thioribose kinase.
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016301 kinase activity
GO:0046522 S-methyl-5-thioribose kinase activity
Biological Process
GO:0009086 methionine biosynthetic process
GO:0016310 phosphorylation
GO:0019509 L-methionine salvage from methylthioadenosine

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:2pup, PDBe:2pup, PDBj:2pup
PDBsum2pup
PubMed17522047
UniProtO31663|MTNK_BACSU Methylthioribose kinase (Gene Name=mtnK)

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