Extended Data Fig. 3: An Alphafold2 model of A. fumigatus DHODH. | Nature Microbiology

Extended Data Fig. 3: An Alphafold2 model of A. fumigatus DHODH.

From: Aspergillus fumigatus strains that evolve resistance to the agrochemical fungicide ipflufenoquin in vitro are also resistant to olorofim

Extended Data Fig. 3: An Alphafold2 model of A. fumigatus DHODH.The alternative text for this image may have been generated using AI.

A: superposition of human DHODH (PDB: 2PRH_1, grey) and A. fumigatus DHODH (teal). The AfDHODH modelled region was Asp110-Leu523, which included a region of low per-residue confidence scores (pIDDT), Arg426-Val478, which is shown as a long loop. hDHODH and AfDHODH share 35% identify and 84% coverage across the full-length sequences. B: co-crystal structure of hDHODH (grey) in complex with orotate, shown in grey. The predicted pose of orotate from molecular docking with AfDHODH (teal) is superimposed. C: co-crystal structure of hDHODH (grey) in complex with FMN, shown in grey. The predicted pose of FMN from molecular docking with AfDHODH (teal) is superimposed. D: Predicted plDDT for 5 predicted structures from AlphaFold2. We used the rank 1 model. A score of <50 is considered very low confidence. Models show a region of low per-residue confidence, Arg316-Val368, which is shown as a long loop (A). However, this region was distal to the binding pocket discussed and therefore not of functional relevance to this work.

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