Computational protocol: EM Structure of human APC/CCDH1-EMI1 reveals multimodal mechanism of E3 ligase shutdown

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Protocol publication

[…] Structures were determined using a combination of manually assigned NOEs and automatic NOE assignment using the program CYANA. Approximately 931 meaningful distance restraints, 38 angle restraints derived from CA, CB shifts using program TALOS+, 8 zinc ion distances and 32 hydrogen bond restraints based on exchange cross peaks with water in the 15N-NOESY spectrum, were used in the structure calculation of EMI1ZT (). Seven iterations of refinement of 100 structures per cycle were completed, after proper distance calibrations. After the initial fold of the protein was determined, a CYANA amino acid library using a modified zinc-ligated cysteine residue was used to incorporate the two zinc ions into the structures. […]

Pipeline specifications

Software tools CYANA, TALOS+
Application NMR-based proteomics analysis
Organisms Homo sapiens
Diseases Adenomatous Polyposis Coli, Sleep Disorders, Intrinsic
Chemicals Vaccines, Synthetic, Zinc, Etodolac