Structure of PDB 2pui Chain A Binding Site BS01

Receptor Information

>2pui Chain A (length=368) Species: 1423 (Bacillus subtilis)

TPLYETLNESSAVKLGLLTCQEIGDGNLNYVFHIYDRALIIKQAVPPLTI
DRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSHLKIARKGLI
EGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITE
RLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAKLKKSFLTSAET
LIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRD
GADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFE
EAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKR
SEFKTITDVIELFKLLVK

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2pui Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2pui Structures of 5-methylthioribose kinase reveal substrate specificity and unusual mode of nucleotide binding
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): D250 E252
• Binding residue (residue number reindexed from 1): D222 E224
• Annotation score: 1

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

External links

• PDB: RCSB:2pui, PDBe:2pui, PDBj:2pui
• PDBsum: 2pui
• PubMed: 17522047
• UniProt: O31663|MTNK_BACSU Methylthioribose kinase (Gene Name=mtnK)