7P0F

Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor HTL0028125

Summary for 7P0F

• Entry DOI: 10.2210/pdb7p0f/pdb
• Related: 6ZIS
• 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, (1S,10R,23E)-12-methyl-10-[(7-methyl-1H-indazol-5-yl)methyl]-15,18,21-trioxa-5,9,12,27,29-pentazapentacyclo[23.5.2.11,4.13,7.028,31]tetratriaconta-3(33),4,6,23,25(32),26,28(31)-heptaene-8,11,30-trione, ... (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: 67561.83

Authors

Southall, S.M.,Watson, S.P. (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 (1.85 Å)