Structure of PDB 9ij6 Chain C Binding Site BS02

Receptor Information

>9ij6 Chain C (length=341) Species: 470 (Acinetobacter baumannii)

MQRIAINGFGRIGRNVLRAWFESPKQFHFEIVAINDIADVHTLVHLFKYD
STHGRFNGKVDITIENEKIYLNIQSNQRLLKVEVLQQKQPELLPWASLKI
DVVLECTGLFRSHADATRHLEAGAKRVIIGAAPFDHVDAAIVYGVNHADV
KATDQIISSVSCTTQALVPLVKIIDDAFGIETALMTEIHAVTADQSVLDH
AHRDLRRARASGQNIIPTTSSALGALKRVMPKMEDRIDGYSIRVPTINVA
AIDLTFIAQSPITVHHINELLIKASQTDYAEIMAVTDEPLVSSDFNHSPY
SLIVDLTQTMVVGHQAKVFAWYDNEWGYANRLLDLCDSFKS

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: 9ij6 Chain C Residue 404

Receptor-Ligand Complex Structure

Structure summary

• PDB: 9ij6 Crystal structure of the complex of erythrose-4-phosphate dehydrogenase from Acinetobacter baumannii with Adenosine phosphate at 2.40 A resolution.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): T263 V264
• Binding residue (residue number reindexed from 1): T263 V264
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004365 glyceraldehyde-3-phosphate dehydrogenase (NAD+) (phosphorylating) activity
• GO:0016491 oxidoreductase activity
• GO:0051287 NAD binding

Biological Process

• GO:0006006 glucose metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:9ij6, PDBe:9ij6, PDBj:9ij6
• PDBsum: 9ij6
• UniProt: A0A059ZTK9