Journal: Acta Crystallographica Section D: Biological Crystallography

Article Title: Small-angle scattering determination of the shape and localization of human cytochrome P450 embedded in a phospholipid nanodisc environment

doi: 10.1107/S1399004715018702

Figure Lengend Snippet: (a) SAXS data for POPC nanodiscs (green) and POPC nanodiscs with reconstituted CYP3A4 (blue). The full black curves show the corresponding model fits. The models are sketched in the insets, with protein in red, hydrophobic lipid tail groups in yellow and hydrophilic head groups in blue. The POPC nanodisc data are scaled by a factor of ten for clarity. (b) Pair distance distribution functions of the data shown in (a) obtained using the Bayesian indirect Fourier transform method. IFT fits to data are not shown.

Article Snippet: As described in § 2, a rigid-body model of the CYP3A4 molecule was constructed using the relative atomic positions of a molecular-dynamics simulation of CYP3A4 embedded in a POPC bilayer (Denisov et al. , 2012 ).

Techniques:

Journal: Acta Crystallographica Section D: Biological Crystallography

Article Title: Small-angle scattering determination of the shape and localization of human cytochrome P450 embedded in a phospholipid nanodisc environment

doi: 10.1107/S1399004715018702

Figure Lengend Snippet: Fitting parameters for the nanodisc model Parameters are reported for POPC-loaded nanodiscs (POPC ND) and CYP3A4-loaded nanodiscs (CYP3A4 POPC ND). In the fit to the CYP3A4-loaded nanodiscs all parameters except the interface roughness terms were assumed to be identical to those obtained in the model fit to the POPC nanodisc data. A head is the area taken up by one phospholipid head group in the disc, N lipids is the number of phospholipids per nanodisc, is the number of hydration water molecules associated with each phospholipid head group, roughness gives the average interfacial roughness of all interfaces, η Belt is the partial specific molecular volume of one MSP, η POPC is the partial specific molecular volume of one POPC molecule and η CYP3A4 is the partial specific molecular volume of CYP3A4.

Article Snippet: As described in § 2, a rigid-body model of the CYP3A4 molecule was constructed using the relative atomic positions of a molecular-dynamics simulation of CYP3A4 embedded in a POPC bilayer (Denisov et al. , 2012 ).

Techniques: