PDB Entry (3k27) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 3k27 | Resolution: 1.76 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 20974918 | DOI: 10.1073/pnas.1008937107 | |
Protein |
|
Protein Name: Polycomb protein EED | |
Protein Class: TRANSCRIPTION REGULATOR | |
Uniprot ID/ACC: O75530 (EED_HUMAN) | Organism: Homo sapiens |
Gene Symbol: EED | Gene ID: 8726 |
Pocket Descriptors | |
Volume: 193.408 | Depth: 10.1823 |
Hydrophobicity: 0.755556 | Drug Score: 0.39536 |
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: H3K9me3 |
Binding Affinity |
||
- |