Structure of the Angiotensin Receptor Revealed by Serial Femtosecond Crystallography

Zhang, Haitao; Unal, Hamiyet; Gati, Cornelius; Han, Gye Won; Liu, Wei; Zatsepin, Nadia A.; James, Daniel; Wang, Dingjie; Nelson, Garrett; Weierstall, Uwe; Sawaya, Michael R.; Xu, Qingping; Messerschmidt, Marc; Williams, Garth J.; Boutet, Sébastien; Yefanov, Oleksandr M.; White, Thomas A.; Wang, Chong; Ishchenko, Andrii; Tirupula, Kalyan C.; Desnoyer, Russell; Coe, Jesse; Conrad, Chelsie E.; Fromme, Petra; Stevens, Raymond C.; Katritch, Vsevolod; Karnik, Sadashiva S.; Cherezov, Vadim

doi:10.1016/j.cell.2015.04.011

Structure of the Angiotensin Receptor Revealed by Serial Femtosecond Crystallography

Journal Article · Thu May 07 00:00:00 EDT 2015 · Cell

DOI:https://doi.org/10.1016/j.cell.2015.04.011· OSTI ID:1194670

Zhang, Haitao ^[1]; Unal, Hamiyet ^[2]; Gati, Cornelius ^[3]; Han, Gye Won ^[4]; Liu, Wei ^[5]; Zatsepin, Nadia A. ^[6]; James, Daniel ^[6]; Wang, Dingjie ^[6]; Nelson, Garrett ^[6]; Weierstall, Uwe ^[6]; Sawaya, Michael R. ^[7]; Xu, Qingping ^[8]; Messerschmidt, Marc ^[9]; Williams, Garth J. ^[10]; Boutet, Sébastien ^[10]; Yefanov, Oleksandr M. ^[3]; White, Thomas A. ^[3]; Wang, Chong ^[11]; Ishchenko, Andrii ^[4]; Tirupula, Kalyan C. ^[2] more »

Univ. of Southern California, Los Angeles, CA (United States). Bridge Inst., Dept. of Biological Sciences
Cleveland Clinic, Cleveland, OH (United States). Lerner Research Inst., Dept. of Molecular Cardiology
Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany). Center for Free-Electron Laser Science
Univ. of Southern California, Los Angeles, CA (United States). Bridge Inst., Dept. of Chemistry
Arizona State Univ., Tempe, AZ (United States). Center for Applied Structural Discovery at the Biodesign Inst., Dept. of Chemistry and Biochemistry
Arizona State Univ., Tempe, AZ (United States). Dept. of Physics
Univ. of California, Los Angeles, CA (United States). UCLA-DOE Inst. for Genomics and Proteomics, Dept. of Chemistry and Biochemistry
SLAC National Accelerator Lab., Menlo Park, CA (United States). Stanford Synchrotron Radiation Lightsource (SSRL)
BioXFEL Science and Technology Center, Buffalo, NY (United States)
SLAC National Accelerator Lab., Menlo Park, CA (United States). Linac Coherent Light Source (LCLS)
Harvard Univ., Cambridge, MA (United States). Dept. of Chemistry and Chemical Biology
Univ. of Southern California, Los Angeles, CA (United States). Bridge Inst., Dept. of Biological Sciences; Univ. of Southern California, Los Angeles, CA (United States). Bridge Inst., Dept. of Chemistry; Shanghai Tech Univ., Shanghai (China). iHuman Inst.

We report that angiotensin II type 1 receptor (AT₁R) is a G protein-coupled receptor that serves as a primary regulator for blood pressure maintenance. Although several anti-hypertensive drugs have been developed as AT₁R blockers (ARBs), the structural basis for AT₁R ligand-binding and regulation has remained elusive, mostly due to the difficulties of growing high quality crystals for structure determination using synchrotron radiation. By applying the recently developed method of serial femtosecond crystallography at an X-ray free-electron laser, we successfully determined the room-temperature crystal structure of the human AT₁R in complex with its selective antagonist ZD7155 at 2.9 Å resolution. The AT₁R-ZD7155 complex structure revealed key structural features ofAT₁R and critical interactions for ZD7155 binding. Finally, docking simulations of the clinically used ARBs into the AT₁R structure further elucidated both the common and distinct binding modes for these anti-hypertensive drugs. Our results thereby provide fundamental insights into AT₁R structure-function relationship and structure-based drug design.

View Accepted Manuscript (DOE)

Research Organization:: SLAC National Accelerator Laboratory (SLAC), Menlo Park, CA (United States). Linac Coherent Light Source

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)

OSTI ID:: 1194670

Alternate ID(s):: OSTI ID: 1262013

Journal Information:: Cell, Journal Name: Cell Journal Issue: 4 Vol. 161; ISSN 0092-8674

Publisher:: ElsevierCopyright Statement

Country of Publication:: United States

Language:: English

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