PDB Entry (3lqj) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 3lqj | Resolution: 1.9 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 20541251 | DOI: 10.1016/j.cell.2010.05.016 | |
Protein |
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Protein Name: Histone-lysine N-methyltransferase 2A | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q03164 (KMT2A_HUMAN) | Organism: Homo sapiens |
Gene Symbol: KMT2A | Gene ID: 4297 |
Pocket Descriptors | |
Volume: 290.944 | Depth: 18.2216 |
Hydrophobicity: 0.721739 | Drug Score: 0.221711 |
Pocket Similarity: Calculate |
Ligand |
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Ligand Name: N-TRIMETHYLLYSINE | ||
HET ID: M3L | PubChem: 440121, 6992003 | |
DrugBank: DB03977 | ChEMBL: CHEMBL1234168 | |
Canonical SMILES: OC(=O)[C@H](CCCC[N+](C)(C)C)N | ||
Standard InChI: InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 | ||
Molecular Formula: C9H21N2O2+ | Mol. Weight: 189.27524 | Heavy Atoms: 13 |
Charge: 1 | Is Chiral: True | logP: 0.9751 |
HBD: 2 | HBA: 3 | TPSA: 63.32 |
#Bonds: 13 | #Rotatable Bonds: 6 | Shape Complexity: 0.8888889 |
Stereocomplexity: 0.11111111 | Ligand Type: H3K4me3 |
Binding Affinity |
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