Structure of PDB 3b9g Chain A Binding Site BS01

Receptor Information

>3b9g Chain A (length=317) Species: 5699 (Trypanosoma vivax)

SAKNVVLDHDGNLDDFVAMVLLASNTEKVRLIGALCTDADCFVENGFNVT
GKIMCLMHNNMNLPLFPIGKSAATAVNPFPKEWRCLAKNMDDMPILNIPE
NVELWDKIKAENEKYEGQQLLADLVMNSEEKVTICVTGPLSNVAWCIDKY
GEKFTSKVEECVIMGGAVDVRGNVFLPSTDGTAEWNIYWDPASAKTVFGC
PGLRRIMFSLDSTNTVPVRSPYVQRFGEQTNFLLSILVGTMWAMGGGYAW
DALTAAYVVDQKVANVDPVPIDVVVDKQPNEGATVRTDAENYPLTFVARN
PEAEFFLDMLLRSARAC

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 3b9g Chain A Residue 318

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3b9g A Flexible Loop as a Functional Element in the Catalytic Mechanism of Nucleoside Hydrolase from Trypanosoma vivax.
• Resolution: 1.4 Å
• Binding residue (original residue number in PDB): D10 D15 T137 D251
• Binding residue (residue number reindexed from 1): D10 D15 T137 D251
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D10 D15 D40 W83 T137 W185 N186 W250 D251
• Catalytic site (residue number reindexed from 1): D10 D15 D40 W83 T137 W185 N186 W250 D251
• Enzyme Commision number: 3.2.2.1: purine nucleosidase.

Gene Ontology

Molecular Function

• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0016799 hydrolase activity, hydrolyzing N-glycosyl compounds
• GO:0046872 metal ion binding

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process

External links

• PDB: RCSB:3b9g, PDBe:3b9g, PDBj:3b9g
• PDBsum: 3b9g
• PubMed: 18519562
• UniProt: Q9GPQ4