7P0I: CGRP receptor ectodomain heterodimer

Crystal structure of a CGRP receptor ectodomain heterodimer bound to macrocyclic inhibitor Compound 13. Determined by X-ray diffraction at 2.3 Å resolution. Released 15 Jun 2022.

Method
X-ray diffraction
Resolution
2.3 Å
Organisms
Escherichia coli (strain K12), Homo sapiens
Chains
1
Atoms
4,853
Mol. weight
67.7 kDa
Ligands
7IU
Released
15 Jun 2022

Explore 7P0I in 3D Show helices and sheets RCSB PDB PDBe

Secondary structure: helices and β-sheets

7P0I contains 35 α-helices and 35 β-strands across 1 chain. Residue ranges use author residue numbering, as in the PDB file, from PDBe. To see them in 3D, choose the Cartoon representation with Secondary structure coloring: helices, sheets and coils get different colors.

Chain A: 35 helices, 35 β-strands

ElementResiduesLengthSheet
β-strand511
β-strand8-1251
α-helix19-3315
β-strand36-4051
α-helix45-5410
β-strand61-6551
α-helix66-683
α-helix69-746
β-strand7812
α-helix79-813
α-helix85-884
β-strand9113
α-helix93-986
β-strand100-10124
β-strand104-10524
β-strand108-11361
β-strand116-12055
β-strand13016
α-helix134-1429
β-strand147-14935
α-helix156-1638
α-helix164-1663
β-strand169-17467
β-strand177-18487
α-helix188-20215
α-helix212-2209
β-strand224-22965
α-helix231-2333
α-helix234-2407
β-strand244-24745
α-helix248-2503
β-strand25116
β-strand25218
β-strand25518
α-helix2591
β-strand260-26129
β-strand262-26871
β-strand26912
α-helix275-2817
α-helix282-2865
α-helix289-29810
β-strand303-30421
β-strand30613
α-helix307-3137
α-helix317-32711
β-strand330-33129
α-helix332-3332
α-helix338-35417
α-helix359-102316
α-helix1032-10354
α-helix1036-10405
α-helix1041-105111
α-helix1053-10553
α-helix1059-107921
α-helix1087-110014
α-helix2033-205422
α-helix2056-20572
β-strand2064-2065210
α-helix2066-20672
β-strand2068-2069211
β-strand2074-2075211
β-strand2078-2079210
β-strand2082-2087612
α-helix2088-20892
β-strand2100-2105612
β-strand2111112
β-strand2113113
β-strand2120113
β-strand2123112
α-helix2135-21439

Molecules and chains

MoleculeChainsTypeLengthOrganismUniProt
Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin…Aprotein594Escherichia coli (strain K12), Homo sapiensO60894 (AlphaFold model), P0AEX9 (AlphaFold model), Q16602 (AlphaFold model)
Sequence of entity 1 (A), FASTA
>7P0I_1 Maltose/maltodextrin-binding periplasmic protein,Receptor activity-modifying protein 1,Calcitonin gene-related peptide type 1 receptor (chains A)
ASAKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAATGDGP
DIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIY
NKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYD
IKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDT
SKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDK
PLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTV
DEALKDAQTNAAAEFTTACQEANYGALLRELCLTQFQVDMEAVGETLWCDWGRTIRSYRE
LADCTWHMAEKLGCFWPNAEVDRFFLAVHGRYFRSCPISGRAVGSAGSAGSAEDSIQLGV
TRNKIMTAQYECYQKIMQDPIQQAEGVYCQRTWDGWLCWNDVAAGTESMQLCPDYFQDFD
PSEKVTKICDQDGNWFRHPASQRTWTDYTQCNVNTHEKVKTALNLFYLHHHHHH

Ligands and cofactors

IDNameFormulaCopies
7IU(1S,20E)-10-(benzofuran-3-ylmethyl)-12-methyl-15,18-dioxa-5,9,12,24,26-pentazap…C34 H33 N5 O61

Water and common crystallization additives (PG4) are not listed.

Primary citation

Novel Macrocyclic Antagonists of the Calcitonin Gene-Related Peptide Receptor: Design, Realization, and Structural Characterization of Protein-Ligand Complexes. Cansfield, A.D., Ator, M.A., Banerjee, J. et al. ACS Chem Neurosci (2022) 13:751-765. DOI 10.1021/acschemneuro.1c00696 · PubMed

Other PDB entries of the same protein (UniProt O60894 (AlphaFold model), which also has an AlphaFold model), best resolution first:

Browse structure collections

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