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MolNFT v1 · #190181 · protein

Cryoem structure of human low-voltage activated T-type calcium channel CAV3.3 in complex with otilonium BROMIDE(OB)

7WLK · Voltage-dependent T-type calcium channel subunit alpha-1I: “Cryoem structure of human low-voltage activated T-type calcium channel CAV3.3 in complex with otilonium…”. Electron microscopy, 5 ligands (3PE, Y01, 7TB), 20 pockets (best…

PDB
7WLK
Type
protein
Length
1,135 residues
Chains
1
Method
electron microscopy
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Voltage-dependent T-type calcium channel subunit alpha-1I
UniProt
Q9P0X4
Ligands
3PE, Y01, 7TB, NAG, CA
Pockets
20 · best druggability 0.85

Structure

electron microscopy · 1 distinct chain · 67% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVoltage-dependent T-type calcium channel subunit alpha-1Iprotein113567% helix, 1% strandQ9P0X4

Ligands and binding sites

  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 6 copies · chains A
  • Y01 · Cholesterol hemisuccinate · ligand · 6 copies · chains A
  • 7TB · 2-[diethyl(methyl)-$l^{4}-azanyl]ethyl 4-[(2-octoxyphenyl)carbonylamino]benzoate · ligand · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

20 pockets found on a 1 Å grid, 11 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111670.850.85837TB, 3PE, CA
28940.700.7576CA
31980.610.8230empty
42840.590.7733empty
52900.580.7743empty

Modifications

Observed in the structure: 5 disulfide, 2 glycan, 1 covalent (disulfide, N-glycosylation, covalent ligand).

Compared structures

  • 7WLK · CryoEM structure of human low-voltage activated T-type calcium channel Cav3.3 in complex… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9P0X4 · AlphaFold monomer V2.0 prediction for voltage-dependent T-type calcium channel subunit… · a predicted model of the same protein · chain A against A, TM-score 0.98

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