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Structure paper

TitleStructural Basis of the Modulation of the Voltage-Gated Calcium Ion Channel Ca 1.1 by Dihydropyridine Compounds*.
Journal, issue, pagesAngew Chem Int Ed Engl, Vol. 60, Issue 6, Page 3131-3137, Year 2021
Publish dateFeb 8, 2021
AuthorsShuai Gao / Nieng Yan /
PubMed Abstract1,4-Dihydropyridines (DHP), the most commonly used antihypertensives, function by inhibiting the L-type voltage-gated Ca (Ca ) channels. DHP compounds exhibit chirality-specific antagonistic or ...1,4-Dihydropyridines (DHP), the most commonly used antihypertensives, function by inhibiting the L-type voltage-gated Ca (Ca ) channels. DHP compounds exhibit chirality-specific antagonistic or agonistic effects. The structure of rabbit Ca 1.1 bound to an achiral drug nifedipine reveals the general binding mode for DHP drugs, but the molecular basis for chiral specificity remained elusive. Herein, we report five cryo-EM structures of nanodisc-embedded Ca 1.1 in the presence of the bestselling drug amlodipine, a DHP antagonist (R)-(+)-Bay K8644, and a titration of its agonistic enantiomer (S)-(-)-Bay K8644 at resolutions of 2.9-3.4 Å. The amlodipine-bound structure reveals the molecular basis for the high efficacy of the drug. All structures with the addition of the Bay K8644 enantiomers exhibit similar inactivated conformations, suggesting that (S)-(-)-Bay K8644, when acting as an agonist, is insufficient to lock the activated state of the channel for a prolonged duration.
External linksAngew Chem Int Ed Engl / PubMed:33125829 / PubMed Central
MethodsEM (single particle)
Resolution2.9 - 3.4 Å
Structure data

22414

7jpk

EMDB-22414, PDB-7jpk:
Rabbit Cav1.1 in the presence of 100 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.0 Angstrom resolution
Method: EM (single particle) / Resolution: 3.0 Å

22415

7jpl

EMDB-22415, PDB-7jpl:
Rabbit Cav1.1 in the presence of 10 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution
Method: EM (single particle) / Resolution: 3.4 Å

22424

7jpv

EMDB-22424, PDB-7jpv:
Rabbit Cav1.1 in the presence of 1 micromolar (S)-(-)-Bay K8644 in nanodiscs at 3.4 Angstrom resolution
Method: EM (single particle) / Resolution: 3.4 Å

22425

7jpw

EMDB-22425, PDB-7jpw:
Rabbit Cav1.1 in the presence of 100 micromolar (R)-(+)-Bay K8644 in nanodiscs at 3.2 Angstrom resolution
Method: EM (single particle) / Resolution: 3.2 Å

22426

7jpx

EMDB-22426, PDB-7jpx:
Rabbit Cav1.1 in the presence of 100 micromolar amlodipine in nanodiscs at 2.9 Angstrom resolution
Method: EM (single particle) / Resolution: 2.9 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-3PE:
1,2-Distearoyl-sn-glycerophosphoethanolamine / phospholipid*YM

ChemComp-PC1:
1,2-DIACYL-SN-GLYCERO-3-PHOSPHOCHOLINE / phospholipid*YM

ChemComp-C8U:
methyl (4~{S})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

ChemComp-VFY:
methyl (4~{R})-2,6-dimethyl-5-nitro-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

ChemComp-POV:
(2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate / phospholipid*YM

ChemComp-6UB:
amlodipine / channel blocker*YM

Source
  • oryctolagus cuniculus (rabbit)
  • Rabbit (rabbit)
KeywordsTRANSPORT PROTEIN / rCav1.1 / Channels; Calcium Ion-Selective / drugs / Channels / Calcium Ion-Selective

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