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In ColE9, it has been proposed that the water molecule coordinated by the metal ion and His131 acts as the general acid that protonates the leaving group [29].
The active site of CA contains a Zn2+ molecule coordinated by three histidine ligands, His94, His96, and His119, and a solvent molecule.
Structural comparison revealed that all closed structures share a tightly bound "catalytic water" molecule coordinated by two conserved glutamine residues (Gln262 and 266 in PTP1B).
This is not surprising from a structural point of view, since the γ-phosphate binding pocket is quite small and only contains two water auxiliary molecules outside of the axial water molecule coordinated by the vanadate anion.
The D64, K63 and a water molecule coordinated by R138 from PTPN18 composed five backbone H-bonds of the HER2 pY peptide and positioned the peptide along specific PTPN18 surface loops, which were the phosphotyrosine recognition loop, the P-loop, the WPD loop, the Q loop and the α-1 helix from N- to the C-terminus.
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Namely, the ANTXR2-bound divalent cation is directly coordinated by a carboxylate-containing side chain (residue D683) of PA as well as by the MIDAS threonine and serine residues, and water molecules coordinated by the MIDAS aspartate residues (Fig. 1) [8], [8].
The trigonal planar AlF3 molecule is coordinated by an ADP β-phosphate oxygen, as predicted for AlF3 mimicking the transition state of an in-line attack on the Ser/Thr residue of the substrate (Madhusudan et al., 2002), and the lower conformation of the glycine-rich loop is well defined.
This water molecule is coordinated by three invariant active-site side chains [E710, N845, and Q849 in Pol I KF)] and interacts with the minor groove of the nascent base pair; its absence could potentially affect nucleotide binding in the complexes that play a role in the early fidelity checkpoints.
The results revealed that the iron atom is coordinated by TPP molecules at Fe/Si system.
The first water molecule is tightly coordinated by the C-terminal carboxylate and the phenolic hydroxyl groups of Tyr147 and Tyr159 while a second water molecule bridges the piperazine group and the carboxylate.
The resolution is 2.3 Å and density shown is from a 2Fo Fc electron density map contoured at 1σ. DOI: http://dx.doi.org/10.7554/eLife.03604.013 N3 of the uracil base interacts with both Thr 155 and Glu 156 through a single water molecule that is coordinated by both residues.
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