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2.4 ångström crystal structure of the F141L CA/CAM:CAV1.2 iq domain complex

Analyse 2.4 ångström crystal structure of the F141L CA/CAM:CAV1.2 iq domain complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6DAF
Type
protein
Length
330 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calmodulin-1; Voltage-dependent L-type calcium channel subunit alpha-1C
UniProt
P0DP23, Q13936
Ligands
CA
Pockets
3 · best druggability 0.52

Structure

x-ray diffraction · 3 distinct chains · 68% helix, 3% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCalmodulin-1protein14463% helix, 4% strandP0DP23
CVoltage-dependent L-type calcium channel subunit alpha-1Cprotein1989% helix, 0% strandQ13936
DVoltage-dependent L-type calcium channel subunit alpha-1Cprotein2383% helix, 0% strandQ13936

Ligands and binding sites

  • CA · Calcium ion · metal · 8 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1690.520.8521empty
2500.350.7914empty
3680.290.7318empty

Interfaces

3 interfaces between chains.

  • B–D · 1440 Ų buried · 5 hydrogen bonds · protein-protein
  • A–C · 1274 Ų buried · 6 hydrogen bonds · protein-protein
  • A–B · 516 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 6DAF · 2.4 Angstrom crystal structure of the F141L Ca/CaM:CaV1.2 IQ domain complex · the same entry in another collection · chain D against D, TM-score 1.00
  • Q13936 · AlphaFold monomer V2.0 prediction for voltage-dependent L-type calcium channel subunit… · a predicted model of the same protein · chain D against A, TM-score 0.78
  • P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain A against A, TM-score 0.52

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