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Publications

Ainoleena Turku; Hannes Schihada; Pawel Kozielewicz; Carl-Fredrik Bowin; Gunnar Schulte. 2021. Residue 6.43 defines receptor function in class F GPCRs. Nature communications 12 (1). doi: 10.1038/s41467-021-24004-z. (https://doi.org/10.1038/s41467-021-24004-z)



Dynamic id Receptor Model name Uniprot entry name Uniprot ID Family Class PDB ID State Species Model type Source type Ligand(s) Num. of atoms Membrane composition Accum. sim. time (µs) Software Force field Submitted by
241 Frizzled-6 Frizzled-6 modeled from human Smoothened receptor fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform X-ray 149361 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet
242 Frizzled-6 Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform X-ray 149367 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet
243 Frizzled-6 Frizzled-6 fzd6_human O60353 Frizzled F Homology model Homo sapiens Apoform X-ray 149297 POPC 0.50 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet
244 Frizzled-6 Frizzled-6 in complex wih miniGs/i fzd6_human gnas2_human O60353 P63092 Frizzled F Homology model Homo sapiens Complex X-ray 183402 POPC 0.55 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet
239 Smoothened homolog human Smoothened receptor smo_human Q99835 Frizzled F 6OT0 Active Homo sapiens Apoform X-ray 156405 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet
240 Smoothened homolog uman Smoothened receptor smo_human Q99835 Frizzled F 6OT0 Active Homo sapiens Apoform X-ray 156399 POPC 1.25 GROMACS 2019.2 CHARMM36, GAFF2 CHARMM36, GAFF2 Schulte lab, Karolinska Institutet

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