Structure of PDB 4wrr Chain B Binding Site BS01

Receptor Information

>4wrr Chain B (length=292) Species: 260799 (Bacillus anthracis str. Sterne)

KTKFEKVLLIVNPKAGQGDLHTNLTKIVPPLAAAFPDLHILHTKEQGDAT
KYCQEFASKVDLIIVFGGDGTVFECTNGLAPLEIRPTLAIIPGGTCNDFS
RTLGVPQNIAEAAKLITKEHVKPVDVAKANGQHFLNFWGIGLVEVSNNID
AEEKAKLGKIGYYLSTIRTVKNAETFPVKITYDGQVYEDEAVLVMVGNGE
YLGGIPSFIPNVKCDDGTLDIFVVKSTGIQAFKDYIGKKLFEDIFHVKAK
SIHIETEEEKEVDTDGESSLHTPCQIELLQGHFTMIYNPAVV

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: 4wrr Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4wrr Crystal structure of a putative diacylglycerol kinase from Bacillus anthracis str. Sterne
• Resolution: 2.16 Å
• Binding residue (original residue number in PDB): K216 D219 T221
• Binding residue (residue number reindexed from 1): K213 D216 T218
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.7.1.107: diacylglycerol kinase (ATP).

Gene Ontology

Molecular Function

• GO:0004143 ATP-dependent diacylglycerol kinase activity
• GO:0005524 ATP binding
• GO:0016301 kinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0008654 phospholipid biosynthetic process
• GO:0016310 phosphorylation

Cellular Component

• GO:0005886 plasma membrane

External links

• PDB: RCSB:4wrr, PDBe:4wrr, PDBj:4wrr
• PDBsum: 4wrr
• UniProt: A0A6L8P1L2