PDB Entry (6oha)

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Visualizer: MichelaNGLo

PDB ID: 6oha Resolution: 2.21 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31283204 DOI: 10.1021/acs.biochem.9b00341
Protein
Protein Name: Probable guanine deaminase
Protein Class: HYDROLASE
Uniprot ID/ACC: Q07729 (GUAD_YEAST) Organism: Saccharomyces cerevisiae
Gene Symbol: - Gene ID: 851360
Pocket Descriptors
Volume: 378.304 Depth: 17.5401
Hydrophobicity: 0.740741 Drug Score: 0.251385
Pocket Similarity: Calculate
Ligand
Ligand Name:   XANTHINE
HET ID:   XAN PubChem:   1188
DrugBank:   DB02134 ChEMBL:   CHEMBL1424
Canonical SMILES:   O=c1[nH]c(=O)c2c([nH]1)[nH]cn2
Standard InChI:   InChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
Molecular Formula:   C5H4N4O2 Mol. Weight:   152.11086 Heavy Atoms:   11
Charge:   0 Is Chiral:   False logP:   -1.0605
HBD:   3 HBA:   3 TPSA:   94.4
#Bonds:   15 #Rotatable Bonds:   0 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-