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Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance potassium channel splice variant and NS309

Analyse Calcium-calmodulin complexed with the calmodulin binding domain from a small… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4J9Z
Type
protein
Length
243 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Small conductance calcium-activated potassium channel protein 2; Calmodulin
UniProt
P70604, P62161
Ligands
1KP, CA, SO4
Pockets
1 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 62% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
BSmall conductance calcium-activated potassium channel protein 2protein9771% helix, 2% strandP70604
RCalmodulinprotein14656% helix, 7% strandP62161

Ligands and binding sites

  • 1KP · (3E)-6,7-dichloro-3-(hydroxyimino)-1,3-dihydro-2H-indol-2-one · ligand · chains B, R
  • CA · Calcium ion · metal · 2 copies · chains R
  • SO4 · Sulfate ion · ion · 4 copies · chains B, R
  • GOL · Glycerol · additive · chains R

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11370.650.87281KP

Interfaces

1 interface between chains.

  • B–R · 1355 Ų buried · 21 hydrogen bonds · protein-protein

Compared structures

  • 4J9Z · Calcium-calmodulin complexed with the calmodulin binding domain from a small conductance… · the same entry in another collection · chain B against B, TM-score 1.00
  • P70604 · AlphaFold monomer V2.0 prediction for small conductance calcium- activated potassium… · a predicted model of the same protein · chain B against A, TM-score 0.64

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