RT @JCIM_JCTC: Water will Find Its Way: Transport through Narrow Tunnels in Hydrolases #MolecularDynamics ..@carseq….

RT @JanBrezovsky1: Super proud of @carseq work, both scientifically, but also sci-art. His cover idea was just published at JCIM! Cool art,….

Finally, in we show that water molecules passing through wide tunnels make few or no H-bonds. However, in narrow tunnels, water molecules form several H-bonds to overcome repulsion and move efficiently.@JanBrezovsky1 @surpeta_b .#sciart #bioinformagician

In our recent paper we observed that when water molecules cross shallow spaces, several Hydrogen bonds are formed with the protein to stabilize the transport.@JanBrezovsky1 @surpeta_b @igorMarchlewski @aravind_ram_ Cedrix Dognmo. More videos soon 😉

The insights we obtained, allowed us to provide a deeper explanation of phenotypical differences in a natural variant of the human epoxide hydrolase.Kudos to my awesome team @JanBrezovsky1 @surpeta_b @igorMarchlewski @aravind_ram_ Cedrix Dongmo.3/3

We used three model system enzymes to uncover the limits for the transport of water molecules across their tunnel network.2/3

We know that water can traverse almost any barrier by entering minuscule spaces. Does the same happen at molecular level in proteins?.In our recent paper, together with @JanBrezovsky1, we study and challenge common views of water transport in proteins 1/3.

RT @MateuszBajczyk: PhD Position (from Preludium BIS grant) in Plant Biology available in our group at.@UAM_IBMiB.Please RT.Deadline: 30th….

RT @pedromics: Burn it to the ground.

RT @JanBrezovsky1: Here, we revisit the rules defining open tunnels in enzymes allowing them to work. So far, it was common to consider onl….

RT @surpeta_b: I am pleased to announce that, together with @JanBrezovsky1 , we designed the first set of penicillin G acylase variants tun….

RT @MateuszBajczyk: I’m very happy to see online our new review about my beloved SERRATE protein published in @TrendsPlantSci. Great collab….

On the other hand, non-substrate chemically similar compounds had to surmount considerably higher energy barriers to be transported.2/2

The results we got with @MedicagoCrew and @JanBrezovsky1 showed that natural substrates of our ABCG protein can traverse the tunnel without energetic penalties 🙂.Read all the spicy details at Last two animations for our paper #sciart #Blender3d.1/2

Interestingly, the Alanine and Tyrosine mutants required to overcome higher energetic barriers to reach a similar conformation. 2/2.

Jointly with @MedicagoCrew and @JanBrezovsky1, we observed a more open conformation for our plant ABCG transporter, opening the tunnel laterally at the intracellular region 😮.Get the entire history at One more to go #sciart #Blender3d.1/2

The shape and presence of the tunnel is affected by mutation of F562: Ala (red) or Tyr (purple) disrupt normal behavior, while Leu (blue) slightly alters wild type (green) phenotype.2/2

Together with @MedicagoCrew, @JanBrezovsky1 and I found that deep residue F562 is implicated in stability of highly conserved residues of ABCG transporter. WT-green, A-red, L-blue, Y-purple.Whole history at More figures on the oven #sciart #Blender3d.1/2

With the awesome collaboration of @MedicagoCrew, me and @JanBrezovsky1 observed a tunnel in the trans-membrane region of our ABCG transporter that only appears in presence of ATP-bound.Read more about it at One more figure to enjoy 😎 #sciart #Blender3d

In our recent paper we model an ABCG plant transporter with AlphaFold2. Showing typical regions of a full-size transporter, we embedded the structure in a lipid bilayer to perform our analyses, find out more at Always fun to make figures #sciart #Blender3d