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MolNFT v1 · #136748 · protein

Cav BETA2A subunit: CAV1.2 aid-cen complex

5V2Q · Voltage-dependent L-type calcium channel subunit beta-2…: “Cav BETA2A subunit: CAV1.2 aid-cen complex”. X-ray diffraction, 2 ligands (8VY, CL), 1 pocket (best druggability 0.46). MolNFT v1 #136748 on GenesisL1: 3D structure, binding…

PDB
5V2Q
Type
protein
Length
317 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Voltage-dependent L-type calcium channel subunit beta-2, voltage-dependent L-type calcium…
UniProt
Q8VGC3, Q13936
Ligands
8VY, CL
Pockets
1 · best druggability 0.46

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AVoltage-dependent L-type calcium channel subunit beta-2, voltage-dependent L-type calcium channel subunit beta-2protein29843% helix, 18% strandQ8VGC3
BVoltage-dependent L-type calcium channel subunit alpha-1Cprotein1979% helix, 0% strandQ13936

Ligands and binding sites

  • 8VY · 1,3-bis(bromomethyl)benzene · ligand · chains B
  • CL · Chloride ion · ion · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11790.460.7526empty

Interfaces

1 interface between chains.

  • A–B · 818 Ų buried · 7 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 covalent (covalent ligand).

Compared structures

  • 5V2Q · CaV beta2a subunit: CaV1.2 AID-CEN complex · the same entry in another collection · chain A against A, TM-score 1.00
  • Q8VGC3 · 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 0.98
  • Q13936 · 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 0.74

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