PDB Entry (5zja)

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Visualizer: MichelaNGLo

PDB ID: 5zja Resolution: 2.6 Å Exp. Method: X-RAY DIFFRACTION
PMID: 30265959 DOI: 10.1016/j.ejmech.2018.09.040
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: 848.448 Depth: 38.5131
Hydrophobicity: 0.700873 Drug Score: 0.648647
Pocket Similarity: Calculate
Ligand
Ligand Name:   5-chloro thiophene-2-carboxylic acid
HET ID:   9E9 PubChem:   95048
DrugBank:   - ChEMBL:   CHEMBL4280438
Canonical SMILES:   OC(=O)c1ccc(s1)Cl
Standard InChI:   InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
Molecular Formula:   C5H3ClO2S Mol. Weight:   162.59412 Heavy Atoms:   9
Charge:   0 Is Chiral:   False logP:   2.0997
HBD:   1 HBA:   3 TPSA:   65.54
#Bonds:   9 #Rotatable Bonds:   1 Shape Complexity:   0.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
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