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The complex between ca-calmodulin and skeletal muscle myosin light chain kinase from combination of NMR and aqueous and contrast-matched saxs data

Analyse The complex between ca-calmodulin and skeletal muscle myosin light chain kinase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2LV6
Type
protein
Length
174 residues
Chains
2
Method
solution scattering; solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calmodulin; Myosin light chain kinase 2, SKELETAL/CARDIAC muscle
EC
2.7.11.18
UniProt
P62158, Q9H1R3
Ligands
CA
Pockets
2 · best druggability 0.48

Structure

solution scattering; solution nmr · 2 distinct chains · 60% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalmodulinprotein14859% helix, 5% strandP62158
BMyosin light chain kinase 2, SKELETAL/CARDIAC muscle (EC 2.7.11.18)protein2662% helix, 0% strandQ9H1R3

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11160.480.8019empty
2530.350.7915empty

Interfaces

1 interface between chains.

  • A–B · 1518 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2LV6 · The complex between Ca-Calmodulin and skeletal muscle myosin light chain kinase from… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9H1R3 · AlphaFold monomer V2.0 prediction for myosin light chain kinase 2, SKELETAL/CARDIAC… · a predicted model of the same protein · chain B against A, TM-score 0.54

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