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. Author manuscript; available in PMC: 2017 Sep 12.
Published in final edited form as: Nature. 2017 Mar 22;544(7648):120–123. doi: 10.1038/nature21714

Extended Data Figure 7. Corrected electron density and ADIPOR1 TM5 positions and crystal lattice packing of ADIPOR1-scFv and ADIPOR2-scFv.

Extended Data Figure 7

2Fo-Fc (blue mesh) and Fo-Fc (green mesh) electron density maps around TM5 are contoured at 1 σ and 2.5 σ, respectively, in the initial ADIPOR1 structure (PBD code 3WXV) fetched from the Electron Density Server (a), the ADIPOR1 structure after modeling in strong positive difference map peaks at ~13 and ~6 σ with two sulfate ions, respectively (b) and the final revised ADIPOR1 structure (c). ADIPOR1 is shown as cartoon and coloured in light grey with TM5 highlighted in black. The zinc ion is shown as an orange sphere.

Lattice packing of ADIPOR2-scFv crystals viewed within the membrane plane (d, e) and from the extracellular side (f). ADIPOR2 TM5 (red) does not make any crystal contacts neither with the bound scFv nor with the symmetry related molecules. Lattice packing of ADIPOR1-scFv crystals viewed within the membrane plane (g, h) and from the extracellular side (i). TM5 (red) of ADIPOR1 (R1-a) makes contact with the TM1 and N-terminal short helix (helix 0) (both in blue) from another symmetry related ADIPOR1 molecule (R1-b). (j, k) Closer view of the interaction of ADIPOR1 TM5 with TM1 and helix 0 from symmetry related ADIPOR1 molecule. At the top, TM5 is stabilized by hydrophobic contact between I287 and F125 of the symmetry related helix 0 as well as hydrogen bonds between the main chain carbonyl of A288 in TM5 and R122 in helix 0 as indicated by the black dashed line (j). At the bottom of TM5, Q265 interacts with R158 of the symmetry related receptor molecule intracellular loop 1 as indicated by the black dashed line. In addition, F271, L272 and L276 make hydrophobic contacts with symmetry related TM1 residues L157, I153, F150 and L149. The interacting residues are displayed as sticks and coloured in green for TM5 and yellow for TM1. ADIPOR1, ADIPOR2, VH and VL are coloured in pale green, wheat, dark grey and light grey, respectively. In both ADIPOR1-scFv and ADIPOR2-scFv, scFv molecules are contributing the most to the crystal lattice formation. Regarding the contacts between just the receptor molecules, in ADIPOR2 the packing is also mediated by TM4 of two symmetry related molecules.