PDB Entry (5ex3)

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Visualizer: MichelaNGLo

PDB ID: 5ex3 Resolution: 2.41 Å Exp. Method: X-RAY DIFFRACTION
PMID: 26929412 DOI: 10.1074/jbc.M115.709832
Protein
Protein Name: Histone-lysine N-methyltransferase SMYD3
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: Q9H7B4 (SMYD3_HUMAN) Organism: Homo sapiens
Gene Symbol: SMYD3 Gene ID: 64754
Pocket Descriptors
Volume: 2474.69 Depth: 45.2477
Hydrophobicity: 0.703422 Drug Score: 0.999999
Pocket Similarity: Calculate
Ligand
Ligand Name:   N-DIMETHYL-LYSINE
HET ID:   MLY PubChem:   193344
DrugBank:   DB03362 ChEMBL:   CHEMBL1234365
Canonical SMILES:   CN(CCCC[C@@H](C(=O)O)N)C
Standard InChI:   InChI=1S/C8H18N2O2/c1-10(2)6-4-3-5-7(9)8(11)12/h7H,3-6,9H2,1-2H3,(H,11,12)/t7-/m0/s1
Molecular Formula:   C8H18N2O2 Mol. Weight:   174.24072 Heavy Atoms:   12
Charge:   0 Is Chiral:   True logP:   0.8305
HBD:   2 HBA:   4 TPSA:   66.56
#Bonds:   12 #Rotatable Bonds:   6 Shape Complexity:   0.875
Stereocomplexity:   0.125 Ligand Type:   VEGFR1-K831me2
Binding Affinity
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