Structure of PDB 5vn6 Chain A Binding Site BS01

Receptor Information

>5vn6 Chain A (length=273) Species: 398577 (Burkholderia ambifaria MC40-6)

MRVEPLTCAIGAELLGVNLADAVHDDGLFAEIRTQLLRHRVLFLRDQDIT
RAEHVAFARRFGELEDHPVAGEHPGLVRIYKDRYENAWHSDASWRVAPPF
GCVLRCIDGPPVGGDTMWANMVLAYENLPDHVKQQIADLRARHSIEASFG
AAMPIDKRLALKAQYPDAEHPVVRTHPETGEKVLYVNAFTTHFTNFHTPA
RVRVGQDANPGAGQLLHYLIGQAAIPEYQVRWRWKKNSVAIWDNRATQHY
AVMDYPPCVRRMERAGIVGDVPF

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: 5vn6 Chain A Residue 300

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5vn6 Crystal structure of Taurine dioxygenase from Burkholderia ambifaria
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): H98 D100 H258
• Binding residue (residue number reindexed from 1): H89 D91 H249
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H98 D100 H258 R273
• Catalytic site (residue number reindexed from 1): H89 D91 H249 R264
• Enzyme Commision number: 1.14.11.17: taurine dioxygenase.

Gene Ontology

Molecular Function

• GO:0000908 taurine dioxygenase activity
• GO:0016491 oxidoreductase activity
• GO:0016706 2-oxoglutarate-dependent dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5vn6, PDBe:5vn6, PDBj:5vn6
• PDBsum: 5vn6
• UniProt: B1YQF4