7P0I

Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13

Summary for 7P0I

• Entry DOI: 10.2210/pdb7p0i/pdb
• Related: 7P0F
• Related PRD ID: PRD_900001
• Descriptor: Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor, alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, TETRAETHYLENE GLYCOL, ... (5 entities in total)
• Functional Keywords: gpcr, cgrp, ectodomain, inhibitor, macrocycle, membrane protein
• Biological source: Escherichia coli (strain K12); More
• Total number of polymer chains: 1
• Total formula weight: 67698.96

Authors

Southall, S.M. (deposition date: 2021-06-29, release date: 2022-06-15, Last modification date: 2024-01-31)

• Primary citation: Cansfield, A.D.,Ator, M.A.,Banerjee, J.,Bestwick, M.,Bortolato, A.,Brown, G.A.,Brown, J.,Butkovic, K.,Cansfield, J.E.,Christopher, J.A.,Congreve, M.,Cseke, G.,Deflorian, F.,Dugan, B.,Hunjadi, M.P.,Hutinec, A.,Inturi, T.K.,Landek, G.,Mason, J.,O'Brien, A.,Ott, G.R.,Rupcic, R.,Saxty, G.,Southall, S.M.,Zadravec, R.,Watson, S.P.; Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes.; Acs Chem Neurosci, 13:751-765, 2022; PubMed: 35245037; DOI: 10.1021/acschemneuro.1c00696

Experimental method

X-RAY DIFFRACTION (2.3 Å)