SidC A3T3C4T4C5T5 Fragment Model

Published: 20 March 2023| Version 1 | DOI: 10.17632/c3ymyp3yx4.1
Matthew Jenner


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.


University of Warwick Department of Chemistry


Structural Biology, Biosynthesis, Homology Modeling, Siderophore