AroCageDB

PDB Entry (3ebo) Download

Visualizer: MichelaNGLo 3ebo_57D_940_A
PDB ID: 3ebo	Resolution: 1.9 Å	Exp. Method: X-RAY DIFFRACTION
PMID: 23279842	DOI: 10.1016/j.fct.2012.12.030

Protein
Protein Name: Glycogen phosphorylase, muscle form
Protein Class: TRANSFERASE
Uniprot ID/ACC: P00489 (PYGM_RABIT)	Organism: Oryctolagus cuniculus
Gene Symbol: -	Gene ID: 100008972
Pocket Descriptors
Volume: 158.208	Depth: 12.1934
Hydrophobicity: 0.734043	Drug Score: 0.226346
Pocket Similarity: Calculate

Ligand

Ligand Name: chrysin
HET ID: 57D	PubChem: 5281607
DrugBank: DB15581	ChEMBL: CHEMBL117
Canonical SMILES: Oc1cc(O)c2c(c1)oc(cc2=O)c1ccccc1
Standard InChI: InChI=1S/C15H10O4/c16-10-6-11(17)15-12(18)8-13(19-14(15)7-10)9-4-2-1-3-5-9/h1-8,16-17H
Molecular Formula: C15H10O4	Mol. Weight: 254.2375	Heavy Atoms: 19
Charge: 0	Is Chiral: False	logP: 2.8712
HBD: 2	HBA: 4	TPSA: 70.67
#Bonds: 21	#Rotatable Bonds: 1	Shape Complexity: 0.0
Stereocomplexity: 0.0	Ligand Type: Small Molecule