PDB Entry (6h1e)

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Visualizer: MichelaNGLo

PDB ID: 6h1e Resolution: 1.9 Å Exp. Method: X-RAY DIFFRACTION
PMID: 31061526 DOI: 10.1038/s41594-019-0219-9
Protein
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
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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