PDB Entry (3ax7) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 3ax7 | Resolution: 2.34 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 22145797 | DOI: 10.1021/ja207173p | |
Protein |
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Protein Name: Xanthine dehydrogenase/oxidase | |
Protein Class: OXIDOREDUCTASE | |
Uniprot ID/ACC: P80457 (XDH_BOVIN) | Organism: Bos taurus |
Gene Symbol: XDH | Gene ID: 280960 |
Pocket Descriptors | |
Volume: 256.96 | Depth: 37.8821 |
Hydrophobicity: 0.663551 | Drug Score: 0.00609595 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-HYDROXYBENZOIC ACID | ||
HET ID: SAL | PubChem: 118212070338 | |
DrugBank: DB00936 | ChEMBL: CHEMBL424 | |
Canonical SMILES: OC(=O)c1ccccc1O | ||
Standard InChI: InChI=1S/C7H6O3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H,(H,9,10) | ||
Molecular Formula: C7H6O3 | Mol. Weight: 138.12074 | Heavy Atoms: 10 |
Charge: 0 | Is Chiral: False | logP: 1.0904 |
HBD: 2 | HBA: 3 | TPSA: 57.53 |
#Bonds: 10 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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