Selective oxidation of testosterone by P450 BM3The content of this page was edited by matteoferla on the 2021-03-28 13:31:59.877518.
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In the manuscript 'Pervasive cooperative mutational effects on multiple catalytic enzyme traits emerge via long-range conformational dynamics .' the following structural features are discussed , , , , , , .
Along withand the cofactor is , several residues are discussed: , , and .
Model system based on P450 BM3 as biocatalyst for the selective oxidation of a steroidal substrate.
is selectively hydroxylated at in the current representation. of parental mutant highlighting residues most likely involved in regio- and diastereoselectivity. The distances between the α-C atoms of the following pairs of residues are (Å):
There are 6 possible evolutionary trajectories between parental mutant F87A (---) and “triple” mutant (R47I/T49I/Y51I/F87A; III). Click on a circle to load it.
This protein view was generated using Michelanglo.
Proteins are chains of L-amino acids linked via their backbone atoms (carboxyl and amine of the α carbon). This sequence of backbone atoms is represented by the (green) ribbon-like structure.
When the backbone atoms hydrogen-bond with each other in a consistent way secondary structure arises.
α-Helices are represented as spirals, while β-sheets appear as adjecent flat strands.
Some residues of interest are represented as ball and sticks like akin to an old chemistry set. In these representations the atoms are colour-coded based on the element. Carbon can be any colour, while nitrogens are in blue, oxygens are in red, hydrogens in white, sulfurs in yellow and phosphorous in orange. The latter is found as phosphate groups so will appear as a distinctive red-tipped orange tetrahedral end of a sidechain. Ions are represented by a variety of colours. But are generally represented as spheres of the correct atomic radius.
This tool allows you to create custom anchor elements that control the protein. See documentation for more.
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Option A. Selection language
For more information on the NGL selection language see NGL manual
This controls the residues to focus on. The selection uses the NGL selection language.
1:A will select residue 1 of chain A,
1-20:B the residues 1 to 20 of chain B,
* for everything,
[PLP]123:D) will select the residue named PLP (a ligand).
The logical operators
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:B or :C will select chains B & C. You can only select residues that exist in the structure, if not it will either show all or erroneously pan off camera when manually written. In this builder you will not be allowed to.
Also to prevent memory issues in mobiles the limit, in the builder only, for residue mode is 500 atoms.
To select two different elements use the logical operator
and, because you want to select anything that matches X or Y.
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