PDB Entry (2owq)

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Visualizer: MichelaNGLo 2owq_IMD_401_A
PDB ID: 2owq Resolution: 2.4 Å Exp. Method: X-RAY DIFFRACTION
PMID: 17605817 DOI: 10.1186/1472-6807-7-45
Protein
Protein Name: Uracil-DNA glycosylase
Protein Class: VIRAL PROTEIN
Uniprot ID/ACC: P04303 (UNG_VACCW) Organism: Vaccinia virus
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: 480.384 Depth: 21.5712
Hydrophobicity: 0.729592 Drug Score: 0.0478217
Pocket Similarity: Calculate
Ligand
Ligand Name:   IMIDAZOLE
HET ID:   IMD PubChem:   21983501, 4434133, 444234
DrugBank:   - ChEMBL:   CHEMBL1233595
Canonical SMILES:   c1[nH]cc[nH+]1
Standard InChI:   InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
Molecular Formula:   C3H5N2+ Mol. Weight:   69.0852 Heavy Atoms:   5
Charge:   1 Is Chiral:   False logP:   -0.1712
HBD:   2 HBA:   0 TPSA:   29.93
#Bonds:   7 #Rotatable Bonds:   0 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-