PDB Entry (3o2g)

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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
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