Structure of PDB 8db7 Chain B Binding Site BS01

Receptor Information

>8db7 Chain B (length=304) Species: 5722 (Trichomonas vaginalis)

MKLWIDTDCGIDDATAILICLANPSIEIVGISCIGGNASLQNVIRNVNRT
LKVWGKTDIPIFGGCQAPLVQPKMEIPHIHGGDGLGDINDNDFGTNTPNK
LEKEHAVNALIHAANTIEDLNILCLAPLTNIAIALSMAPEAILKIKHFYI
MGGAENGKGNITPYGEFNWRADPEAAQIVLQTYPQYQTTIASWTLAVFNS
FNANDYDFFNLDGNLVRRFIRETWKPIIAFDGGRICPADPLAAFIAVYGD
RAIKRAERLHLSMVLEGEKLGMSLAEPDEKGCLVVKECDAELFVKILREL
QDHQ

Ligand information

• Ligand ID: R2O
• InChI: InChI=1S/C9H10FN3/c10-7-1-3-8(4-2-7)13-9-11-5-6-12-9/h1-4H,5-6H2,(H2,11,12,13)
• InChIKey: IOUVWAKVDFTALH-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01
  CACTVS 3.385: Fc1ccc(NC2=NCCN2)cc1
  OpenEye OEToolkits 2.0.7: c1cc(ccc1NC2=NCCN2)F
• Formula: C9 H10 F N3
• Name: N-(4-fluorophenyl)-4,5-dihydro-1H-imidazol-2-amine
• PDB chain: 8db7 Chain B Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8db7 Structure-Guided Insight into the Specificity and Mechanism of a Parasitic Nucleoside Hydrolase.
• Resolution: 2.33 Å
• Binding residue (original residue number in PDB): D12 I79 N160 I161 W193 I227 D231
• Binding residue (residue number reindexed from 1): D12 I79 N160 I161 W193 I227 D231
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008477 purine nucleosidase activity
• GO:0016787 hydrolase activity
• GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
• GO:0046872 metal ion binding

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0006152 purine nucleoside catabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8db7, PDBe:8db7, PDBj:8db7
• PDBsum: 8db7
• PubMed: 35994320
• UniProt: A2EYV3