PDB Entry (3ax7)

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Visualizer: MichelaNGLo

PDB ID: 3ax7 Resolution: 2.34 Å Exp. Method: X-RAY DIFFRACTION
PMID: 22145797 DOI: 10.1021/ja207173p
Protein
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
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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