PDB Entry (2e4a) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 2e4a | Resolution: 2.6 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 17303072 | DOI: 10.1016/j.bbrc.2007.01.181 | |
Protein |
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Protein Name: D-amino-acid oxidase | |
Protein Class: OXIDOREDUCTASE | |
Uniprot ID/ACC: P14920 (OXDA_HUMAN) | Organism: Homo sapiens |
Gene Symbol: DAO | Gene ID: 1610 |
Pocket Descriptors | |
Volume: 807.168 | Depth: 35.8479 |
Hydrophobicity: 0.679121 | Drug Score: 0.302377 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: 2-AMINOBENZOIC ACID | ||
HET ID: BE2 | PubChem: 227 | |
DrugBank: DB04056 | ChEMBL: CHEMBL14173 | |
Canonical SMILES: OC(=O)c1ccccc1N | ||
Standard InChI: InChI=1S/C7H7NO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,8H2,(H,9,10) | ||
Molecular Formula: C7H7NO2 | Mol. Weight: 137.13599 | Heavy Atoms: 10 |
Charge: 0 | Is Chiral: False | logP: 1.5482 |
HBD: 2 | HBA: 3 | TPSA: 63.32 |
#Bonds: 10 | #Rotatable Bonds: 1 | Shape Complexity: 0.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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