PDB Entry (6oha) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6oha | Resolution: 2.21 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31283204 | DOI: 10.1021/acs.biochem.9b00341 | |
Protein |
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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 |
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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 |
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