PDB Entry (3o2g) Download |
||
Visualizer: MichelaNGLo |
||
PDB ID: 3o2g | Resolution: 1.78 Å | Exp. Method: X-RAY DIFFRACTION |
PMID: 21168767 | DOI: 10.1016/j.chembiol.2010.09.016 | |
Protein |
|
Protein Name: Gamma-butyrobetaine dioxygenase | |
Protein Class: OXIDOREDUCTASE | |
Uniprot ID/ACC: O75936 (BODG_HUMAN) | Organism: Homo sapiens |
Gene Symbol: BBOX1 | Gene ID: 8424 |
Pocket Descriptors | |
Volume: 771.2 | Depth: 26.7382 |
Hydrophobicity: 0.678808 | Drug Score: 0.313889 |
Pocket Similarity: Calculate |
Ligand |
||
Ligand Name: 3-CARBOXY-N,N,N-TRIMETHYLPROPAN-1-AMINIUM | ||
HET ID: NM2 | PubChem: 134 | |
DrugBank: - | ChEMBL: CHEMBL1234760 | |
Canonical SMILES: OC(=O)CCC[N+](C)(C)C | ||
Standard InChI: InChI=1S/C7H15NO2/c1-8(2,3)6-4-5-7(9)10/h4-6H2,1-3H3/p+1 | ||
Molecular Formula: C7H16NO2+ | Mol. Weight: 146.20744 | Heavy Atoms: 10 |
Charge: 1 | Is Chiral: False | logP: 0.5574 |
HBD: 1 | HBA: 2 | TPSA: 37.3 |
#Bonds: 9 | #Rotatable Bonds: 4 | Shape Complexity: 0.85714287 |
Stereocomplexity: 0.0 | Ligand Type: Small Molecule |
Binding Affinity |
||
- |