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
-