PDB Entry (2r5a) Download |
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Visualizer: MichelaNGLo |
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PDB ID: 2r5a | Resolution: 2.3 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 17932512 | DOI: 10.1038/sj.embor.7401085 | |
Protein |
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Protein Name: Polycomb protein Scm | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: Q9VHA0 (SCM_DROME) | Organism: Drosophila melanogaster |
Gene Symbol: Scm | Gene ID: 41168 |
Pocket Descriptors | |
Volume: 196.416 | Depth: 12.6365 |
Hydrophobicity: 0.791667 | Drug Score: 0.276415 |
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: Small Molecule |
Binding Affinity |
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