PDB Entry (4iuu) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 4iuu | Resolution: 2.7 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 23636332 | DOI: 10.1038/nature12178 | |
Protein |
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Protein Name: Protein SAWADEE HOMEODOMAIN HOMOLOG 1 | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q9XI47 (SHH1_ARATH) | Organism: Arabidopsis thaliana |
Gene Symbol: - | Gene ID: 838088 |
Pocket Descriptors | |
Volume: 512.32 | Depth: 21.2075 |
Hydrophobicity: 0.711111 | Drug Score: 0.353467 |
Pocket Similarity: Calculate |
Ligand |
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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 |
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