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PDB Entry (3o1h) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 3o1h | Resolution: 3.1 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: 22483119 | DOI: 10.1016/j.str.2012.02.021 | |
Protein |
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| Protein Name: Periplasmic protein TorT | |
| Protein Class: SIGNALING PROTEIN | |
| Uniprot ID/ACC: Q87ID2 (Q87ID2_VIBPA) | Organism: Vibrio parahaemolyticus serotype O3:K6 |
| Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
| Volume: 545.728 | Depth: 25.2183 |
| Hydrophobicity: 0.680723 | Drug Score: 0.189596 |
| Pocket Similarity: Calculate | |
Ligand |
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| Ligand Name: trimethylamine oxide | ||
| HET ID: TMO | PubChem: 1145 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: [O-][N+](C)(C)C | ||
| Standard InChI: InChI=1S/C3H9NO/c1-4(2,3)5/h1-3H3 | ||
| Molecular Formula: C3H9NO | Mol. Weight: 75.10966 | Heavy Atoms: 5 |
| Charge: 0 | Is Chiral: False | logP: 0.2113 |
| HBD: 0 | HBA: 1 | TPSA: 29.43 |
| #Bonds: 4 | #Rotatable Bonds: 0 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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