BIOMOLECULE: 1 The biological assembly might not be physiologically relevant mainly because of the ...BIOMOLECULE: 1 The biological assembly might not be physiologically relevant mainly because of the results authors obtained in solution. The actual residues in the relevant transmembrane domains (TM9 and TM12) are not conserved in the eukaryotic homologues. Authors are not 100% sure because crosslinking the protein in a lipid bilayer has not been performed.
Remark 600
HETEROGEN The authors state that C2 numbering is in crystallographic notation and it is the same as ...HETEROGEN The authors state that C2 numbering is in crystallographic notation and it is the same as C3 numbering in IUPAC. Regarding the bond order difference for the C5-C6 bond, the authors used the topology and parameter files derived from the small molecule crystal structures of clomipramine and imipramine rather than theoretical values.
解像度: 1.9→27.73 Å / Rfactor Rfree error: 0.005 / Data cutoff high absF: 1897177.69 / Data cutoff low absF: 0 / Isotropic thermal model: RESTRAINED / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: Engh & Huber 詳細: Structure in asymmetric unit starts at R5 because of disorder. Residues E129, T515, and L516 are modeled as alanines because of disorder. Residues N133, A134, V517, P518, and R519 are not ...詳細: Structure in asymmetric unit starts at R5 because of disorder. Residues E129, T515, and L516 are modeled as alanines because of disorder. Residues N133, A134, V517, P518, and R519 are not modeled because of disorder. C-terminal residues GTL modeled as GAA because of disorder.