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Calmodulin-smooth muscle light chain kinase peptide complex

Analyse Calmodulin-smooth muscle light chain kinase peptide complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2O5G
Type
protein
Length
166 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calmodulin; Smooth muscle myosin light chain kinase peptide
UniProt
P62149, P11799
Ligands
ACE, CA, NH2, SO4
Pockets
1 · best druggability 0.30

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACalmodulinprotein14757% helix, 5% strandP62149
BSmooth muscle myosin light chain kinase peptideprotein1989% helix, 0% strandP11799

Ligands and binding sites

  • ACE · Acetyl group · ligand · chains B
  • CA · Calcium ion · metal · 4 copies · chains A
  • NH2 · Amino group · ion · chains A, B
  • SO4 · Sulfate 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
1690.300.7419empty

Interfaces

1 interface between chains.

  • A–B · 1510 Ų buried · 14 hydrogen bonds · protein-protein

Modifications

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

Compared structures

  • 2O5G · Calmodulin-smooth muscle light chain kinase peptide complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P11799 · AlphaFold monomer V2.0 prediction for myosin light chain kinase, smooth muscle (P11799) · a predicted model of the same protein · chain B against A, TM-score 0.77
  • P62149 · AlphaFold monomer V2.0 prediction for calmodulin (P62149) · a predicted model of the same protein · chain A against A, TM-score 0.50

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