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TitleStructural basis for human Ca1.2 inhibition by multiple drugs and the neurotoxin calciseptine.
Journal, issue, pagesCell, Vol. 186, Issue 24, Page 5363-5374.e16, Year 2023
Publish dateNov 22, 2023
AuthorsShuai Gao / Xia Yao / Jiaofeng Chen / Gaoxingyu Huang / Xiao Fan / Lingfeng Xue / Zhangqiang Li / Tong Wu / Yupeng Zheng / Jian Huang / Xueqin Jin / Yan Wang / Zhifei Wang / Yong Yu / Lei Liu / Xiaojing Pan / Chen Song / Nieng Yan /
PubMed AbstractCa1.2 channels play crucial roles in various neuronal and physiological processes. Here, we present cryo-EM structures of human Ca1.2, both in its apo form and in complex with several drugs, as well ...Ca1.2 channels play crucial roles in various neuronal and physiological processes. Here, we present cryo-EM structures of human Ca1.2, both in its apo form and in complex with several drugs, as well as the peptide neurotoxin calciseptine. Most structures, apo or bound to calciseptine, amlodipine, or a combination of amiodarone and sofosbuvir, exhibit a consistent inactivated conformation with a sealed gate, three up voltage-sensing domains (VSDs), and a down VSD. Calciseptine sits on the shoulder of the pore domain, away from the permeation path. In contrast, when pinaverium bromide, an antispasmodic drug, is inserted into a cavity reminiscent of the IFM-binding site in Na channels, a series of structural changes occur, including upward movement of VSD coupled with dilation of the selectivity filter and its surrounding segments in repeat III. Meanwhile, S4-5 merges with S5 to become a single helix, resulting in a widened but still non-conductive intracellular gate.
External linksCell / PubMed:37972591
MethodsEM (single particle)
Resolution2.9 - 3.3 Å
Structure data

29102

8fhs

EMDB-29102, PDB-8fhs:
Human L-type voltage-gated calcium channel Cav1.2 in the presence of amiodarone and sofosbuvir at 3.3 Angstrom resolution
Method: EM (single particle) / Resolution: 3.3 Å

37472

8we6

EMDB-37472, PDB-8we6:
Human L-type voltage-gated calcium channel Cav1.2 at 2.9 Angstrom resolution
Method: EM (single particle) / Resolution: 2.9 Å

37473

8we7

EMDB-37473, PDB-8we7:
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine at 3.2 Angstrom resolution
Method: EM (single particle) / Resolution: 3.2 Å

37474

8we8

EMDB-37474, PDB-8we8:
Human L-type voltage-gated calcium channel Cav1.2 in the presence of calciseptine, amlodipine and pinaverium at 2.9 Angstrom resolution
Method: EM (single particle) / Resolution: 2.9 Å

37475

8we9

EMDB-37475, PDB-8we9:
Human L-type voltage-gated calcium channel Cav1.2 (Class I) in the presence of pinaverium at 3.0 Angstrom resolution
Method: EM (single particle) / Resolution: 3.0 Å

37476

8wea

EMDB-37476, PDB-8wea:
Human L-type voltage-gated calcium channel Cav1.2 (Class II) in the presence of pinaverium at 3.2 Angstrom resolution
Method: EM (single particle) / Resolution: 3.2 Å

Chemicals

ChemComp-CA:
Unknown entry

ChemComp-BBI:
(2-butyl-1-benzofuran-3-yl){4-[2-(diethylamino)ethoxy]-3,5-diiodophenyl}methanone / medication, antiarrhythmic*YM

ChemComp-WG6:
Sofosbuvir / medication*YM

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

ChemComp-CLR:
CHOLESTEROL

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

ChemComp-PT5:
[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho / phospholipid*YM

ChemComp-6UB:
amlodipine / channel blocker*YM

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

ChemComp-WB9:
4-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-[2-[2-[(1~{R},2~{S},5~{R})-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]ethoxy]ethyl]morpholin-4-ium

Source
  • homo sapiens (human)
  • dendroaspis polylepis polylepis (black mamba)
KeywordsTRANSPORT PROTEIN / Cav1.2 / Channels / Calcium Ion-Selective / MEMBRANE PROTEIN

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