Structure of PDB 5b46 Chain B Binding Site BS03

Receptor Information

>5b46 Chain B (length=301) Species: 273063 (Sulfurisphaera tokodaii str. 7)

RKPVFVDWCPGCGDFGILRAEEMAIRELGINPKSVVIVSGIGCSGKIPHF
MNLPISGVHTLHGRSIAFATGIKLSNPSLEVIVNVGDGDGLGIGMGHFVH
LGRRNIDIAVLVHNNGVYGLTKGQASPTLHRGEKTKSLPKPNIMDAVNPL
AVALAAGYTFVARGYAYDVMHLKELIKKAILHKGSALVDILQPCPTYNDI
NTKEWYDKRVYKLDNVPGWDPVVRKEEEAQKKFEQAIMKSYEWGEKIPIG
IFYQNELVPTFEDRLTSNIPNYREYYPAKQQIEINGISTTKIDELIKAKR
I

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: 5b46 Chain B Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5b46 Crystal structures of archaeal 2-oxoacid:ferredoxin oxidoreductases from Sulfolobus tokodaii
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): D90 N118 V120
• Binding residue (residue number reindexed from 1): D87 N115 V117
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.2.7.11: 2-oxoacid oxidoreductase (ferredoxin).

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0016491 oxidoreductase activity
• GO:0018491 2-oxobutyrate synthase activity
• GO:0019164 pyruvate synthase activity
• GO:0030976 thiamine pyrophosphate binding
• GO:0046872 metal ion binding
• GO:0047553 2-oxoglutarate synthase activity
• GO:0051539 4 iron, 4 sulfur cluster binding

Biological Process

• GO:0006086 acetyl-CoA biosynthetic process from pyruvate

External links

• PDB: RCSB:5b46, PDBe:5b46, PDBj:5b46
• PDBsum: 5b46
• PubMed: 27619895
• UniProt: Q96XT4|OFOB2_SULTO 2-oxoacid:ferredoxin oxidoreductase 2, subunit beta (Gene Name=ST2433)