Structure of PDB 7tfc Chain S Binding Site BS05

Receptor Information

>7tfc Chain S (length=443) Species: 1423 (Bacillus subtilis)

AKYTREDIEKLVKEENVKYIRLQFTDILGTIKNVEIPVSQLGKALDNKVM
FDGSSIEGFVRIEESDMYLYPDLNTFVIFPWTAEKGKVARFICDIYNPDG
TPFEGDPRNNLKRILKEMEDLGFSDFNLGPEPEFFLFKLDEKGEPTLELN
DKGGYFDLAPTDLGENCRRDIVLELEEMGFEIEASHHEVAPGQHEIDFKY
AGAVRSCDDIQTFKLVVKTIARKHGLHATFMPKPLFGVNGSGMHCNLSLF
KNGVNAFFDENADLQLSETAKHFIAGIVKHATSFTAVTNPTVNSYKRLVP
GYEAPCYVAWSAQNRSPLIRIPASRGISTRVEVRSVDPAANPYLALSVLL
AAGLDGIKNKLEAPAPIDRNIYVMSKEERMENGIVDLPATLAEALEEFKS
NEVMVKALGEHLFEHFIEAKEIEWDMFRTQVHPWEREQYMSQY

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: 7tfc Chain S Residue 503

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tfc Molecular dissection of the glutamine synthetase-GlnR nitrogen regulatory circuitry in Gram-positive bacteria.
• Resolution: 1.96 Å
• Binding residue (original residue number in PDB): E134 Y156 E189 G241 H245 R298 E304
• Binding residue (residue number reindexed from 1): E133 Y155 E188 G240 H244 R297 E303
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 6.3.1.2: glutamine synthetase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0004356 glutamine synthetase activity
• GO:0005524 ATP binding
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006542 glutamine biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:7tfc, PDBe:7tfc, PDBj:7tfc
• PDBsum: 7tfc
• PubMed: 35778410
• UniProt: A0A085CCI2