Science Advances

Supplementary Materials

This PDF file includes:

  • Supplementary Materials and Methods
  • fig. S1. Integrative structural biology to generate experimentally restrained structural models of the KCNE3-KCNQ1 channel complex.
  • fig. S2. Chemical shift index analysis for KCNE3 in bicelles.
  • fig. S3. RDC NMR data for KCNE3 in bicelles.
  • fig. S4. Dipolar wave analysis of bicellar KCNE3 1H-15N RDCs.
  • fig. S5. Examples of PRE NMR data for KCNE3 in bicelles.
  • fig. S6. 15N NMR relaxation measurements for KCNE3 in bicelles.
  • fig. S7. Representative structures of KCNE3 amphipathic and transmembrane helices from AMBER restrained molecular dynamics (rMD) simulations.
  • fig. S8. Water access to the TMD of KCNE3.
  • fig. S9. Sequence conservation between KCNQ1 and KCNQ4.
  • fig. S10. Homology modeling of the open state of KCNQ1.
  • fig. S11. Homology/Rosetta modeling of the KCNQ1 channel open state.
  • fig. S12. Flowchart displaying the process used to dock KCNE3 to open-state KCNQ1.
  • fig. S13. Calculated binding energies (ddG) versus interface root mean squared deviation (Irms) of interface α-carbon positions compared to the lowest-scoring KCNE3-KCNQ1 (open) complex.
  • fig. S14. Same plot as fig. S13 with color displaying the total distance restraint violations.
  • fig. S15. Rebuilding flexible regions within the KCNQ1-KCNE3 complex.
  • fig. S16. Representative 23 KCNE3-KCNQ1 models based on satisfaction of experimental restraints and Rosetta scoring function.
  • fig. S17. Comparison between structurally characterized KCNE family members.
  • fig. S18. Sequence conservation within the entire KCNE family and within KCNE3 from different organisms.
  • fig. S19. KCNE3 reduces the KCNQ1Q4S4 current amplitude without reducing channel protein levels at the membrane.
  • table S1. Statistics for restraints, structural calculations, and structural quality for the 10 lowest-energy structures of 9764 calculated using XPLOR and further refined in AMBER.
  • table S2. KCNQ1-KCNE3 residue pairs predicted to be proximal based on experimental work.
  • References (7883)

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