Structure of PDB 2gqs Chain A Binding Site BS01

Receptor Information

>2gqs Chain A (length=237) Species: 562 (Escherichia coli)

MQKQAELYRGKAKTVYSTENPDLLVLEFRNDTSAGDGARIEQFDRKGMVN
NKFNYFIMSKLAEAGIPTQMERLLSDTECLVKKLDMVPVECVVRNRAAGS
LVKRLGIEEGIELNPPLFDLFLKNDAMHDPMVNESYCETFGWVSKENLAR
MKELTYKANDVLKKLFDDAGLILVDFKLEFGLYKGEVVLGDEFSPDGSRL
WDKETLEKMDKDRFRQSLGGLIEAYEAVARRLGVQLD

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: 2gqs Chain A Residue 240

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gqs Nucleotide Complexes of Escherichia coli Phosphoribosylaminoimidazole Succinocarboxamide Synthetase.
• Resolution: 2.05 Å
• Binding residue (original residue number in PDB): E90 D129
• Binding residue (residue number reindexed from 1): E90 D129
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 6.3.2.6: phosphoribosylaminoimidazolesuccinocarboxamide synthase.

Gene Ontology

Molecular Function

• GO:0004639 phosphoribosylaminoimidazolesuccinocarboxamide synthase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0097216 guanosine tetraphosphate binding

Biological Process

• GO:0006164 purine nucleotide biosynthetic process
• GO:0006189 'de novo' IMP biosynthetic process
• GO:0009236 cobalamin biosynthetic process

Cellular Component

• GO:0005829 cytosol
• GO:0016020 membrane

External links

• PDB: RCSB:2gqs, PDBe:2gqs, PDBj:2gqs
• PDBsum: 2gqs
• PubMed: 16687397
• UniProt: P0A7D7|PUR7_ECOLI Phosphoribosylaminoimidazole-succinocarboxamide synthase (Gene Name=purC)