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PDB Entry (4hvn) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 4hvn | Resolution: 1.95 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: 24562475 | DOI: 10.1007/s10969-014-9176-z | |
Protein |
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| Protein Name: SnoaL-like domain-containing protein | |
| Protein Class: ISOMERASE | |
| Uniprot ID/ACC: C7PVH9 (C7PVH9_CATAD) | Organism: Catenulispora acidiphila |
| Gene Symbol: - | Gene ID: - |
Pocket Descriptors | |
| Volume: 468.992 | Depth: 19.2914 |
| Hydrophobicity: 0.824074 | Drug Score: 0.763943 |
| Pocket Similarity: Calculate | |
Ligand |
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| Ligand Name: N,N-dimethylmethanamine | ||
| HET ID: KEN | PubChem: 1146 | |
| DrugBank: - | ChEMBL: CHEMBL439723 | |
| Canonical SMILES: CN(C)C | ||
| Standard InChI: InChI=1S/C3H9N/c1-4(2)3/h1-3H3 | ||
| Molecular Formula: C3H9N | Mol. Weight: 59.11026 | Heavy Atoms: 4 |
| Charge: 0 | Is Chiral: False | logP: 0.1778 |
| HBD: 0 | HBA: 1 | TPSA: 3.24 |
| #Bonds: 3 | #Rotatable Bonds: 0 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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