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Crystal structure of the CA2+/CAM complex with independent peptides of KV7.4 (KCNQ4) a & B domains

Analyse Crystal structure of the CA2+/CAM complex with independent peptides of KV7.4… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6N5W
Type
protein
Length
188 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Potassium voltage-gated channel subfamily kqt member 4; Calmodulin-1
UniProt
P56696, P0DP23
Ligands
CA
Pockets
1 · best druggability 0.59

Structure

x-ray diffraction · 3 distinct chains · 64% helix, 5% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APotassium voltage-gated channel subfamily kqt member 4protein1979% helix, 0% strandP56696
BPotassium voltage-gated channel subfamily kqt member 4protein2588% helix, 0% strandP56696
CCalmodulin-1protein14458% helix, 7% strandP0DP23

Ligands and binding sites

  • CA · Calcium ion · metal · 2 copies · chains C

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
12300.590.8023empty

Interfaces

3 interfaces between chains.

  • B–C · 1173 Ų buried · 6 hydrogen bonds · protein-protein
  • A–C · 950 Ų buried · 10 hydrogen bonds · protein-protein
  • A–B · 450 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6N5W · Crystal structure of the Ca2+/CaM complex with independent peptides of Kv7.4 (KCNQ4) A &… · the same entry in another collection · chain A against A, TM-score 1.00
  • P56696 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily kqt… · a predicted model of the same protein · chain B against A, TM-score 0.84
  • P0DP23 · AlphaFold monomer V2.0 prediction for calmodulin-1 (P0DP23) · a predicted model of the same protein · chain C against A, TM-score 0.52

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