PDB Entry (6j27) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6j27 | Resolution: 1.66 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31162806 | DOI: 10.1111/febs.14949 | |
Protein |
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Protein Name: N(4)-bis(aminopropyl)spermidine synthase | |
Protein Class: TRANSFERASE | |
Uniprot ID/ACC: Q72L89 (Q72L89_THET2) | Organism: Thermus thermophilus |
Gene Symbol: - | Gene ID: 3168348 |
Pocket Descriptors | |
Volume: 276.608 | Depth: 22.3437 |
Hydrophobicity: 0.634855 | Drug Score: 0.00258548 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: N,N-bis(3-aminopropyl)butane-1,4-diamine | ||
HET ID: N4P | PubChem: 10420404 | |
DrugBank: - | ChEMBL: - | |
Canonical SMILES: NCCCCN(CCCN)CCCN | ||
Standard InChI: InChI=1S/C10H26N4/c11-5-1-2-8-14(9-3-6-12)10-4-7-13/h1-13H2 | ||
Molecular Formula: C10H26N4 | Mol. Weight: 202.34024 | Heavy Atoms: 14 |
Charge: 0 | Is Chiral: False | logP: 1.8258 |
HBD: 3 | HBA: 4 | TPSA: 81.3 |
#Bonds: 13 | #Rotatable Bonds: 10 | Shape Complexity: 1.0 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
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