PDB Entry (2vyu)

Download

Visualizer: MichelaNGLo
PDB ID: 2vyu Resolution: 2.45 Å Exp. Method: X-RAY DIFFRACTION
PMID: 19165143 DOI: 10.1038/embor.2008.245
Protein
Protein Name: Choline-binding protein F
Protein Class: SIGNALING PROTEIN
Uniprot ID/ACC: Q8DR52 (Q8DR52_STRR6) Organism: Streptococcus pneumoniae
Gene Symbol: - Gene ID: -
Pocket Descriptors
Volume: None Depth: None
Hydrophobicity: None Drug Score: None
Pocket Similarity: Calculate
Ligand
Ligand Name:   CHOLINE ION
HET ID:   CHT PubChem:   305
DrugBank:   DB00122 ChEMBL:   CHEMBL920
Canonical SMILES:   OCC[N+](C)(C)C
Standard InChI:   InChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
Molecular Formula:   C5H14NO+ Mol. Weight:   104.17076 Heavy Atoms:   7
Charge:   1 Is Chiral:   False logP:   -0.3151
HBD:   1 HBA:   1 TPSA:   20.23
#Bonds:   6 #Rotatable Bonds:   2 Shape Complexity:   1.0
Stereocomplexity:   0.0 Ligand Type:   Small Molecule
Binding Affinity
-