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PDB Entry (6ud3) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 6ud3 | Resolution: 3.5 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: 32719334 | DOI: 10.1038/s41467-020-17364-5 | |
Protein |
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| Protein Name: Glycine receptor subunit alphaZ1 | |
| Protein Class: SIGNALING PROTEIN | |
| Uniprot ID/ACC: O93430 (GLRA1_DANRE) | Organism: Danio rerio |
| Gene Symbol: glra1 | Gene ID: 30676 |
Pocket Descriptors | |
| Volume: 49.216 | Depth: 10.001 |
| Hydrophobicity: 0.807692 | Drug Score: 0.232676 |
| Pocket Similarity: Calculate | |
Ligand |
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| Ligand Name: GLYCINE | ||
| HET ID: GLY | PubChem: 5257127750 | |
| DrugBank: DB00145 | ChEMBL: CHEMBL773 | |
| Canonical SMILES: NCC(=O)O | ||
| Standard InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5) | ||
| Molecular Formula: C2H5NO2 | Mol. Weight: 75.0666 | Heavy Atoms: 5 |
| Charge: 0 | Is Chiral: False | logP: -0.27 |
| HBD: 2 | HBA: 3 | TPSA: 63.32 |
| #Bonds: 4 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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