Structure of PDB 7d54 Chain A Binding Site BS01

Receptor Information

>7d54 Chain A (length=242) Species: 1772 (Mycolicibacterium smegmatis)

EFMAPKVLFIHNEHMCTEAMLGDAFSECGFDIETFEVVPPERVETPAGDV
AFPDPTAYDVIVPLGARWPVYEQSLVGTWVTAEMDMMRKAADAGVGILGV
CFGGQLLAQTFGGSVARAETAEVGWFELDTDDAGLIAPGPWFQWHFDRWT
VPPGATEIARTSRSSQAFVLGRALALQFHPEVDVDLLEGWLADDREGISG
KLGYNHDDLRLRTKELVDDAAVRVRELVRAFLDKVVRADPAS

Ligand information

• Ligand ID: GLN
• InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1
• InChIKey: ZDXPYRJPNDTMRX-VKHMYHEASA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CC(=O)N)C(C(=O)O)N
  OpenEye OEToolkits 1.5.0: C(CC(=O)N)[C@@H](C(=O)O)N
  ACDLabs 10.04: O=C(N)CCC(N)C(=O)O
  CACTVS 3.341: N[CH](CCC(N)=O)C(O)=O
  CACTVS 3.341: N[C@@H](CCC(N)=O)C(O)=O
• Formula: C5 H10 N2 O3
• Name: GLUTAMINE
• ChEMBL: CHEMBL930
• DrugBank: DB00130
• ZINC: ZINC000001532526
• PDB chain: 7d54 Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7d54 Structure and mechanism of the gamma-glutamyl-gamma-aminobutyrate hydrolase SpuA from Pseudomonas aeruginosa.
• Resolution: 1.85 Å
• Binding residue (original residue number in PDB): A64 C99 W142 W188
• Binding residue (residue number reindexed from 1): A66 C101 W144 W190
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 6.3.5.2: GMP synthase (glutamine-hydrolyzing).

Gene Ontology

Biological Process

• GO:0006541 glutamine metabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:7d54, PDBe:7d54, PDBj:7d54
• PDBsum: 7d54
• PubMed: 34605433
• UniProt: A0R003