PDB Entry (2e4a)

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Visualizer: MichelaNGLo

PDB ID: 2e4a Resolution: 2.6 Å Exp. Method: X-RAY DIFFRACTION
PMID: 17303072 DOI: 10.1016/j.bbrc.2007.01.181
Protein
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
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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