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Structure of the complex of calmodulin with the target sequence of camki

Analyse Structure of the complex of calmodulin with the target sequence of camki in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1MXE
Type
protein
Length
338 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Calmodulin; Target sequence of rat calmodulin-dependent protein kinase I
EC
2.7.1.123
UniProt
P62152, Q63450
Ligands
CA
Pockets
4 · best druggability 0.40

Structure

x-ray diffraction · 2 distinct chains · 66% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BCalmodulinprotein14463% helix, 6% strandP62152
E, FTarget sequence of rat calmodulin-dependent protein kinase I (EC 2.7.1.123)protein2580% helix, 0% strandQ63450

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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1940.400.7716empty
2730.370.7713empty
3540.340.7811empty
4620.310.7515empty

Interfaces

2 interfaces between chains.

  • B–F · 1775 Ų buried · 15 hydrogen bonds · protein-protein
  • A–E · 1723 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 1MXE · Structure of the Complex of Calmodulin with the Target Sequence of CaMKI · the same entry in another collection · chain A against A, TM-score 1.00
  • Q63450 · AlphaFold monomer V2.0 prediction for CALCIUM/CALMODULIN-dependent protein kinase type 1… · a predicted model of the same protein · chain E against A, TM-score 0.66
  • P62152 · AlphaFold monomer V2.0 prediction for calmodulin (P62152) · a predicted model of the same protein · chain A against A, TM-score 0.52

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