PDB Entry (1q3l)

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Visualizer: MichelaNGLo
PDB ID: 1q3l Resolution: 1.64 Å Exp. Method: X-RAY DIFFRACTION
PMID: - DOI: None
Protein
Protein Name: Heterochromatin protein 1
Protein Class: TRANSCRIPTION REGULATOR
Uniprot ID/ACC: P05205 (HP1_DROME) Organism: Drosophila melanogaster
Gene Symbol: Su(var)205 Gene ID: 34119
Pocket Descriptors
Volume: 442.752 Depth: 18.2516
Hydrophobicity: 0.734043 Drug Score: 0.137662
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:   H3K9me1
Binding Affinity
-