Extended Data Fig. 1: Probing D1R transmembrane domain with single helices. | Nature

Extended Data Fig. 1: Probing D1R transmembrane domain with single helices.

From: De novo design of GPCR exoframe modulators

Extended Data Fig. 1

a-c, Surface overview of probe-targeting sites for RFdiffusion binder protocol. The presented surface of D1R (PDB: 7LJC59) is colored by electrostatic potential. The approximate targeting regions are highlighted in yellow for cavity near TM1/2/4 (a), cavity near TM3/4/5 (b), and cavity near TM5/6 (c). d, Cartoon overview of probe-targeting sites. e, SeqLogo of probing sequences. Probes designed as binders with scaffolds generated with RFDiffusion binder protocol targeting TM1/2/4, TM3/4/5 and TM5/6. ProteinMPNN input the resulting complex structures and design sequences for probes only. f, Binding conformation of probing, predicted with AF2, colored by pLDDT. The probe-receptor complex predicted for probes designed as binder. Probes having clashes with the receptor are hidden (distance cutoff set as 0.8 Å).

Back to article page