Structure of PDB 3cr3 Chain A Binding Site BS01

Receptor Information

>3cr3 Chain A (length=192) Species: 272623 (Lactococcus lactis subsp. lactis Il1403)

LLTIDTTIEWLGKFNEKIQENKAYLSELDGPIGDGDHGANMARGMSETMK
ALEVSNFGNVSEIFKKVAMTLMSKVGGASGPLYGSAFLAMSKTAIETLDT
SELIYAGLEAIQKRGKAQVGEKTMVDIWSAFLNDLQTDSASKDNLEKVVK
ASAGLLATKGRASYLGERSIGHIDPGTQSSAYLFETLLEVVA

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: 3cr3 Chain A Residue 1212

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3cr3 X-ray Structures of the Three Lactococcus lactis Dihydroxyacetone Kinase Subunits and of a Transient Intersubunit Complex.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D29 D34 D36
• Binding residue (residue number reindexed from 1): D29 D34 D36
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.121: phosphoenolpyruvate--glycerone phosphotransferase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004371 glycerone kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0016772 transferase activity, transferring phosphorus-containing groups
• GO:0046872 metal ion binding
• GO:0047324 phosphoenolpyruvate-glycerone phosphotransferase activity

Biological Process

• GO:0006071 glycerol metabolic process
• GO:0016310 phosphorylation
• GO:0019563 glycerol catabolic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:3cr3, PDBe:3cr3, PDBj:3cr3
• PDBsum: 3cr3
• PubMed: 18957416
• UniProt: Q9CIV7|DHAL_LACLA PTS-dependent dihydroxyacetone kinase, ADP-binding subunit DhaL (Gene Name=dhaL)