PDB Entry (6h1e) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 6h1e | Resolution: 1.9 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 31061526 | DOI: 10.1038/s41594-019-0219-9 | |
Protein |
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Protein Name: Methyltransferase N6AMT1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q9Y5N5 (N6MT1_HUMAN) | Organism: Homo sapiens |
Gene Symbol: N6AMT1 | Gene ID: 29104 |
Pocket Descriptors | |
Volume: 836.608 | Depth: 19.2416 |
Hydrophobicity: 0.663507 | Drug Score: 0.555721 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: N-METHYL-LYSINE | ||
HET ID: MLZ | PubChem: 164795 | |
DrugBank: DB01714 | ChEMBL: CHEMBL1234366 | |
Canonical SMILES: CNCCCC[C@@H](C(=O)O)N | ||
Standard InChI: InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1 | ||
Molecular Formula: C7H16N2O2 | Mol. Weight: 160.21414 | Heavy Atoms: 11 |
Charge: 0 | Is Chiral: True | logP: 0.8792 |
HBD: 3 | HBA: 4 | TPSA: 75.35 |
#Bonds: 11 | #Rotatable Bonds: 6 | Shape Complexity: 0.85714287 |
Stereocomplexity: 0.14285715 | Ligand Type: H4K12me1 |
Binding Affinity |
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