SidC A3T3C4T4C5T5 Fragment Model
Supporting Data for M. Jenner & Y. Hai et al. 'Elucidating the molecular programming of a nonlinear nonribosomal peptide synthetase responsible for fungal siderophore biosynthesis'. Relating to Supplementary Figure S13. File Descriptions: SidC_A3T3C4T4C5T5_FINAL.pse - co-ordinate file for combined fragments of SidC A3T3C4 and C4T4C5T5. C4T4C5T5_SidC_rank1_relaxed.pdb - co-ordinate file for AlphaFold model of SidC C4T4C5T5 fragment A3T3C4T4_SidC_rank1_relaxed.pdb - co-ordinate file for AlphaFold model of SidC A3T3C4T4 fragment
Steps to reproduce
Sequences for the A3T3C4 and C4T4C5T5 regions of SidC were were submitted to the AlphaFold Colab notebook (v1.5.2: Alphafold 2 using MMseqs2), which uses a slightly simplified version of AlphaFold AlphaFold v2.3.1., with the run_relax parameter enabled. The resulting structures were then aligned to each other via the C4T4 region present in both structures, yielding the final model of SidC A3T3C4T4C5T5.