Structure of PDB 1gsa Chain A Binding Site BS01

Receptor Information

>1gsa Chain A (length=314) Species: 37762 (Escherichia coli B)

MIKLGIVMDPIANINIKKDSSFAMLLEAQRRGYELHYMEMGDLYLINGEA
RAHTRTLNVKQNYEEWFSFVGEQDLPLADLDVILMRKDPPFDTEFIYATY
ILERAEEKGTLIVNKPQSLRDCNEKLFTAWFSDLTPETLVTRNKAQLKAF
WEKHSDIILKPLDGMGGASIFRVKEGDPNLGVIAETLTEHGTRYCMAQNY
LPAIKDGDKRVLVVDGEPVPYCLARIPQGGETRGNLAAGGRGEPRPLTES
DWKIARQIGPTLKEKGLIFVGLDIIGDRLTEINVTSPTCIREIEAEFPVS
ITGMLMDAIEARLQ

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: 1gsa Chain A Residue 319

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1gsa A pseudo-michaelis quaternary complex in the reverse reaction of a ligase: structure of Escherichia coli B glutathione synthetase complexed with ADP, glutathione, and sulfate at 2.0 A resolution.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): D273 E281
• Binding residue (residue number reindexed from 1): D273 E281
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K125 K160 R210 R225 R233 D273 E281 N283
• Catalytic site (residue number reindexed from 1): K125 K160 R210 R225 R233 D273 E281 N283
• Enzyme Commision number: 6.3.2.3: glutathione synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0003824 catalytic activity
• GO:0004363 glutathione synthase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0042802 identical protein binding
• GO:0046872 metal ion binding

Biological Process

• GO:0006750 glutathione biosynthetic process
• GO:0051289 protein homotetramerization

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1gsa, PDBe:1gsa, PDBj:1gsa
• PDBsum: 1gsa
• PubMed: 8810901
• UniProt: P04425|GSHB_ECOLI Glutathione synthetase (Gene Name=gshB)