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PDB Entry (3dz6) Download |
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Visualizer: MichelaNGLo |
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| PDB ID: 3dz6 | Resolution: 1.83 Å | Exp. Method: X-RAY DIFFRACTION |
| PMID: 19209891 | DOI: 10.1021/jm801126a | |
Protein |
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| Protein Name: S-adenosylmethionine decarboxylase proenzyme | |
| Protein Class: LYASE | |
| Uniprot ID/ACC: P17707 (DCAM_HUMAN) | Organism: Homo sapiens |
| Gene Symbol: AMD1 | Gene ID: 262 |
Pocket Descriptors | |
| Volume: 391.424 | Depth: 16.4973 |
| Hydrophobicity: 0.680272 | Drug Score: 0.0680942 |
| Pocket Similarity: Calculate | |
Ligand |
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| Ligand Name: 1,4-DIAMINOBUTANE | ||
| HET ID: PUT | PubChem: 1045 | |
| DrugBank: DB01917 | ChEMBL: CHEMBL46257 | |
| Canonical SMILES: NCCCCN | ||
| Standard InChI: InChI=1S/C4H12N2/c5-3-1-2-4-6/h1-6H2 | ||
| Molecular Formula: C4H12N2 | Mol. Weight: 88.15148 | Heavy Atoms: 6 |
| Charge: 0 | Is Chiral: False | logP: 1.0846 |
| HBD: 2 | HBA: 2 | TPSA: 52.04 |
| #Bonds: 5 | #Rotatable Bonds: 3 | Shape Complexity: 1.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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