Structure of PDB 1qwg Chain A Binding Site BS03

Receptor Information

>1qwg Chain A (length=251) Species: 2190 (Methanocaldococcus jannaschii)

MKAFEFLYEDFQRGLTVVLDKGLPPKFVEDYLKVCGDYIDFVKFGWGTSA
VIDRDVVKEKINYYKDWGIKVYPGGTLFEYAYSKGKFDEFLNECEKLGFE
AVEISDGSSDISLEERNNAIKRAKDNGFMVLTEVGKKMPDKDKQLTIDDR
IKLINFDLDAGADYVIIEGRESGKGKGLFDKEGKVKENELDVLAKNVDIN
KVIFEAPQKSQQVAFILKFGSSVNLANIAFDEVISLETLRRGLRGDTFGK
V

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1qwg Chain A Residue 302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qwg The structural determination of phosphosulfolactate synthase from Methanococcus jannaschii at 1.7-A resolution: an enolase that is not an enolase
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): R54 K58
• Binding residue (residue number reindexed from 1): R54 K58
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 4.4.1.19: phosphosulfolactate synthase.

Gene Ontology

Molecular Function

• GO:0016829 lyase activity
• GO:0043817 phosphosulfolactate synthase activity
• GO:0050545 sulfopyruvate decarboxylase activity

Biological Process

• GO:0019295 coenzyme M biosynthetic process

External links

• PDB: RCSB:1qwg, PDBe:1qwg, PDBj:1qwg
• PDBsum: 1qwg
• PubMed: 12952952
• UniProt: Q57703|PSLS_METJA Phosphosulfolactate synthase (Gene Name=comA)