Sentence examples for bonds between the ligand from inspiring English sources

During the docking of compound 13 with Plasmodium falciparum DHFR, it was observed that there was formation of four hydrogen bonds between the ligand and four interaction residues of the binding site.

Furthermore, no formation of hydrogen bonds between the ligand and protein binding site is observed.

The PLIF parameter 'lower interaction threshold' was set to 2% to allow the detection of weak hydrogen bonds between the ligand and the protein.

The first comprises crystal structures in which the ligand mimics ADP and interacts with the hinge region of CHK2 through one or two hydrogen bonds between the ligand and residues Glu302 and Met304 (Fig. 2A).

A comparison between the locked and unlocked conformations indicates that this difference corresponds to specific interactions between the substrate and the binding pocket, which include hydrophobic interactions between a methyl group of triNAG and the side-chain of W109, as well as hydrogen bonds between the ligand and the main chain amide group of N60 and the side chains of W64 and Q104.

The hydrogen bonds between the ligands and active site residues are drawn as green dashed lines.

Hessen [57], Tamm [59, 60] and Nomura [58] have all investigated iminoimidazolidide ligands (cyclic guanidinates, 8, Fig. 5), and it has been suggested that an increase in π-bonding between the ligand and titanium can lead to an increase in catalytic activity [57, 58, 59, 60].

Changing serine into valine or alanine should delete the putative H-bond between the ligand and the side chain of S259.

According to our predictions, mutations of these positions into valine or alanine would disrupt the hydrophobic interactions between PTC and the aromatic ring of W99, as well as a potential H-bond between the ligand and the amino acid side chain of N103.

In this orientation, there was a hydrogen bond between the ligand ammonium and the Ser205 backbone carbonyl oxygen.

In the second orientation, β-alanine was close to Ser131 above loop E, and there was a hydrogen bond between the ligand ammonium and the side chain hydroxyl.