Hydrogen-activation mechanism of [Fe] hydrogenase revealed by multi-scale modeling

MECHANISM OF HYDROGEN PRODUCTION IN [Fe-Fe]- HYDROGENASE: A DENSITY FUNCTIONAL THEORY STUDY (POSTPRINT)

Mechanism of hydrogen activation by [NiFe] hydrogenases.

The active site of [NiFe] hydrogenases contains a strictly conserved arginine that suspends a guanidine nitrogen atom <4.5 Å above the nickel and iron atoms. The guanidine headgroup interacts with the side chains of two conserved aspartic acid residues to complete an outer-shell canopy that has thus far proved intractable to investigation by site-directed mutagenesis. Using hydrogenase-1 from E...

Nitrogenase, Hydrogenase and Hydrogen Production by Cyanobacteria

2 Summary Hydrogen has the potential to provide a clean, storable, transportable and renewable source of energy that can meet the need for power throughout the world. Biological production of hydrogen, especially by photosynthetic microorganisms that use sunlight for energy, provides a renewable source of hydrogen for fuel cells. Nitrogen-fixing cyanobacteria can produce hydrogen in an aerobic ...

Dihydrogen activation by a diruthenium analogue of the Fe-only hydrogenase active site.

The photochemical reaction of Ru2(S2C3H6)(CO)4(PCy3)2 (1) and H2 gives the dihydride Ru2(S2C3H6)(mu-H)(H)(CO)3(PCy3)2 (2). NMR and crystallographic studies reveal mutually trans basal phosphine ligands and both bridging and terminal hydrides. Ru2(S2C2H4)(CO)4(PCy3)2 behaves similarly. Other HX substrates undergo photoaddition to 1, affording Ru2(S2C3H6)(mu-H)(X)(CO)3(PCy3)2 for X = OTs (3a), Cl...

A channelopathy mechanism revealed by direct calmodulin activation of TrpV4.

Ca(2+)-calmodulin (CaM) regulates varieties of ion channels, including Transient Receptor Potential vanilloid subtype 4 (TrpV4). It has previously been proposed that internal Ca(2+) increases TrpV4 activity through Ca(2+)-CaM binding to a C-terminal Ca(2+)-CaM binding domain (CBD). We confirmed this model by directly presenting Ca(2+)-CaM protein to membrane patches excised from TrpV4-expressin...