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MolNFT v1 · #112794 · protein

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

4ZW2 · Voltage-dependent L-type calcium channel subunit beta-1…: “Crystal structure of the mouse voltage gated calcium channel beta subunit isoform 1A in complex with alpha…”. X-ray diffraction, 2 ligands (ACE, NH2), 4 pockets (best…

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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