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Structure paper

TitleStructural basis for Caαδ:gabapentin binding.
Journal, issue, pagesNat Struct Mol Biol, Vol. 30, Issue 6, Page 735-739, Year 2023
Publish dateMar 27, 2023
AuthorsZhou Chen / Abhisek Mondal / Daniel L Minor /
PubMed AbstractGabapentinoid drugs for pain and anxiety act on the Caαδ-1 and Caαδ-2 subunits of high-voltage-activated calcium channels (Ca1s and Ca2s). Here we present the cryo-EM structure of the gabapentin- ...Gabapentinoid drugs for pain and anxiety act on the Caαδ-1 and Caαδ-2 subunits of high-voltage-activated calcium channels (Ca1s and Ca2s). Here we present the cryo-EM structure of the gabapentin-bound brain and cardiac Ca1.2/Caβ/Caαδ-1 channel. The data reveal a binding pocket in the Caαδ-1 dCache1 domain that completely encapsulates gabapentin and define Caαδ isoform sequence variations that explain the gabapentin binding selectivity of Caαδ-1 and Caαδ-2.
External linksNat Struct Mol Biol / PubMed:36973510 / PubMed Central
MethodsEM (single particle)
Resolution3.1 Å
Structure data

29004

8fd7

EMDB-29004, PDB-8fd7:
Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with gabapentin
Method: EM (single particle) / Resolution: 3.1 Å

EMDB-29006: human EMC:human Cav1.2 channel complex in GDN detergent at 3.1 Angstrom
Method: EM (single particle) / Resolution: 3.1 Å

EMDB-29007: Human L-type voltage-gated calcium channel Cav1.2 complexed with gabapentin (Segment Map)
Method: EM (single particle) / Resolution: 3.1 Å

EMDB-29015: Structure of the human L-type voltage-gated calcium channel Cav1.2 complexed with gabapentin (consensus map)
Method: EM (single particle) / Resolution: 3.1 Å

Chemicals

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

ChemComp-GBN:
[1-(AMINOMETHYL)CYCLOHEXYL]ACETIC ACID

ChemComp-CA:
Unknown entry

ChemComp-NA:
Unknown entry

ChemComp-WO9:
(2R)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl heptadecanoate

ChemComp-YSW:
(2S)-3-{[(R)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-2-(dodecanoyloxy)propyl dodecanoate

ChemComp-CLR:
CHOLESTEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
  • oryctolagus cuniculus (rabbit)
KeywordsMEMBRANE PROTEIN / voltage-gated calcium channel / CaV alpha2delta / drug binding / gabapentin

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