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Structure paper

TitleMolecular Basis for Ligand Modulation of a Mammalian Voltage-Gated Ca Channel.
Journal, issue, pagesCell, Vol. 177, Issue 6, Page 1495-1506.e12, Year 2019
Publish dateMay 30, 2019
AuthorsYanyu Zhao / Gaoxingyu Huang / Jianping Wu / Qiurong Wu / Shuai Gao / Zhen Yan / Jianlin Lei / Nieng Yan /
PubMed AbstractThe L-type voltage-gated Ca (Ca) channels are modulated by various compounds exemplified by 1,4-dihydropyridines (DHP), benzothiazepines (BTZ), and phenylalkylamines (PAA), many of which have been ...The L-type voltage-gated Ca (Ca) channels are modulated by various compounds exemplified by 1,4-dihydropyridines (DHP), benzothiazepines (BTZ), and phenylalkylamines (PAA), many of which have been used for characterizing channel properties and for treatment of hypertension and other disorders. Here, we report the cryoelectron microscopy (cryo-EM) structures of Ca1.1 in complex with archetypal antagonistic drugs, nifedipine, diltiazem, and verapamil, at resolutions of 2.9 Å, 3.0 Å, and 2.7 Å, respectively, and with a DHP agonist Bay K 8644 at 2.8 Å. Diltiazem and verapamil traverse the central cavity of the pore domain, directly blocking ion permeation. Although nifedipine and Bay K 8644 occupy the same fenestration site at the interface of repeats III and IV, the coordination details support previous functional observations that Bay K 8644 is less favored in the inactivated state. These structures elucidate the modes of action of different Ca ligands and establish a framework for structure-guided drug discovery.
External linksCell / PubMed:31150622
MethodsEM (single particle)
Resolution2.6 - 2.9 Å
Structure data

9866

6jp5

EMDB-9866, PDB-6jp5:
Rabbit Cav1.1-Nifedipine Complex
Method: EM (single particle) / Resolution: 2.9 Å

9867

6jp8

EMDB-9867, PDB-6jp8:
Rabbit Cav1.1-Bay K8644 Complex
Method: EM (single particle) / Resolution: 2.7 Å

9868

6jpa

EMDB-9868, PDB-6jpa:
Rabbit Cav1.1-Verapamil Complex
Method: EM (single particle) / Resolution: 2.6 Å

9869

6jpb

EMDB-9869, PDB-6jpb:
Rabbit Cav1.1-Diltiazem Complex
Method: EM (single particle) / Resolution: 2.9 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-CA:
Unknown entry

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

ChemComp-C5U:
dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate / medication, channel blocker*YM

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

ChemComp-ETA:
ETHANOLAMINE

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

ChemComp-9Z9:
(3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en / detergent*YM

ChemComp-4YH:
(2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile

ChemComp-C9F:
Diltiazem / medication, channel blocker*YM

Source
  • oryctolagus cuniculus (rabbit)
KeywordsMEMBRANE PROTEIN / Membrane protein complex modulated by FDA approved drug.

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