PDB Entry (3lqj)

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Visualizer: MichelaNGLo

PDB ID: 3lqj Resolution: 1.9 Å Exp. Method: X-RAY DIFFRACTION
PMID: 20541251 DOI: 10.1016/j.cell.2010.05.016
Protein
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
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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