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Crystal structure of the mouse voltage gated calcium channel beta subunit isoform 1A in complex with alpha interaction domain peptide.

Analyse Crystal structure of the mouse voltage gated calcium channel beta subunit… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4ZW2
Type
protein
Length
337 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Voltage-dependent L-type calcium channel subunit beta-1, voltage-dependent L-type calcium…
UniProt
Q8R3Z5, Q02789
Ligands
ACE, NH2
Pockets
4 · best druggability 0.48

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVoltage-dependent L-type calcium channel subunit beta-1, voltage-dependent L-type calcium channel subunit beta-1protein31942% helix, 17% strandQ8R3Z5
BVoltage-dependent L-type calcium channel subunit alpha-1Sprotein1883% helix, 0% strandQ02789

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains B
  • NH2 · Amino group · ion · chains A, B
  • PGE · Triethylene glycol · additive · 2 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11700.480.7638empty
2580.320.7715empty
3520.320.7715empty
4610.310.7514empty

Interfaces

1 interface between chains.

  • A–B · 833 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 covalent (covalent ligand).

Compared structures

  • 4ZW2 · Crystal structure of the Mouse voltage gated calcium channel beta subunit isoform 1a in… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8R3Z5 · AlphaFold monomer V2.0 prediction for voltage-dependent L-type calcium channel subunit… · a predicted model of the same protein · chain A against A, TM-score 0.97
  • Q02789 · AlphaFold monomer V2.0 prediction for voltage-dependent L-type calcium channel subunit… · a predicted model of the same protein · chain B against A, TM-score 0.81

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