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(a) 3D structure, and (b) topology diagram of the haloalkane dehalogenase <t>DhaA31</t> (PDB:3RK4). The lid domain is shown in red and the Rossman fold domain is shown in green. α Helices and β strands belonging to the ‘Rossman’ fold domain (lid domain) are represented by green (red) rectangles and green (red) arrows, respectively. The location and identity of the catalytic triad is indicated by blue dots. Both the (c) 3D structure and (d) topology diagram of the lipase (PDB:1OIL) are highly similar to the dehalogenase.
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(a) 3D structure, and (b) topology diagram of the haloalkane dehalogenase <t>DhaA31</t> (PDB:3RK4). The lid domain is shown in red and the Rossman fold domain is shown in green. α Helices and β strands belonging to the ‘Rossman’ fold domain (lid domain) are represented by green (red) rectangles and green (red) arrows, respectively. The location and identity of the catalytic triad is indicated by blue dots. Both the (c) 3D structure and (d) topology diagram of the lipase (PDB:1OIL) are highly similar to the dehalogenase.
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(a) 3D structure, and (b) topology diagram of the haloalkane dehalogenase <t>DhaA31</t> (PDB:3RK4). The lid domain is shown in red and the Rossman fold domain is shown in green. α Helices and β strands belonging to the ‘Rossman’ fold domain (lid domain) are represented by green (red) rectangles and green (red) arrows, respectively. The location and identity of the catalytic triad is indicated by blue dots. Both the (c) 3D structure and (d) topology diagram of the lipase (PDB:1OIL) are highly similar to the dehalogenase.
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(a) 3D structure, and (b) topology diagram of the haloalkane dehalogenase <t>DhaA31</t> (PDB:3RK4). The lid domain is shown in red and the Rossman fold domain is shown in green. α Helices and β strands belonging to the ‘Rossman’ fold domain (lid domain) are represented by green (red) rectangles and green (red) arrows, respectively. The location and identity of the catalytic triad is indicated by blue dots. Both the (c) 3D structure and (d) topology diagram of the lipase (PDB:1OIL) are highly similar to the dehalogenase.
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(a) 3D structure, and (b) topology diagram of the haloalkane dehalogenase <t>DhaA31</t> (PDB:3RK4). The lid domain is shown in red and the Rossman fold domain is shown in green. α Helices and β strands belonging to the ‘Rossman’ fold domain (lid domain) are represented by green (red) rectangles and green (red) arrows, respectively. The location and identity of the catalytic triad is indicated by blue dots. Both the (c) 3D structure and (d) topology diagram of the lipase (PDB:1OIL) are highly similar to the dehalogenase.
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(a) 3D structure, and (b) topology diagram of the haloalkane dehalogenase DhaA31 (PDB:3RK4). The lid domain is shown in red and the Rossman fold domain is shown in green. α Helices and β strands belonging to the ‘Rossman’ fold domain (lid domain) are represented by green (red) rectangles and green (red) arrows, respectively. The location and identity of the catalytic triad is indicated by blue dots. Both the (c) 3D structure and (d) topology diagram of the lipase (PDB:1OIL) are highly similar to the dehalogenase.

Journal: bioRxiv

Article Title: Framework for Martini-based Coarse-grained Model of Enzymes: Model Development and Experimental Validation

doi: 10.1101/2024.09.22.614383

Figure Lengend Snippet: (a) 3D structure, and (b) topology diagram of the haloalkane dehalogenase DhaA31 (PDB:3RK4). The lid domain is shown in red and the Rossman fold domain is shown in green. α Helices and β strands belonging to the ‘Rossman’ fold domain (lid domain) are represented by green (red) rectangles and green (red) arrows, respectively. The location and identity of the catalytic triad is indicated by blue dots. Both the (c) 3D structure and (d) topology diagram of the lipase (PDB:1OIL) are highly similar to the dehalogenase.

Article Snippet: DhaA31 was overexpressed in competent cells of the E. coli BL21 strain, which were transformed with a pET29b+ vector containing the DhaA31 gene (Twist Biosciences) with a C-terminal 6xHis-tag.

Techniques: