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Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion channel in complex with cAMP

Analyse Structure of human HCN4 hyperpolarization-activated cyclic nucleotide-gated ion… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GYO
Type
protein
Length
2,004 residues
Chains
4
Method
electron microscopy
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
3.4
Source
Homo sapiens
Molecule
Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4
UniProt
Q9Y3Q4
Ligands
PC1, 3PE, CMP, PIE, UNX
Pockets
20 · best druggability 0.81

Structure

electron microscopy · resolution 3.4 · 1 distinct chain · 61% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DPotassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 4protein50161% helix, 8% strandQ9Y3Q4

Ligands and binding sites

  • PC1 · 1,2-diacyl-sn-glycero-3-phosphocholine · ligand · 28 copies · chains A, B, D, C
  • 3PE · 1,2-diacyl-sn-glycero-3-phosphoethanolamine · ligand · 8 copies · chains A, B, C, D
  • CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 4 copies · chains A, B, C, D
  • PIE · 1,2-diacyl-sn-glycero-3-phosphoinositol · ligand · 4 copies · chains A, B, C, D
  • UNX · Unknown atom or ion · ion · 4 copies · chains A, D, B, C

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

Pockets

20 pockets found on a 1 Å grid, 18 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110560.810.8293empty
210380.800.8279empty
39280.800.8272empty
49540.800.8270empty
59530.790.8199empty

Interfaces

6 interfaces between chains.

  • A–D · 3031 Ų buried · 31 hydrogen bonds · protein-protein
  • A–B · 3021 Ų buried · 30 hydrogen bonds · protein-protein
  • C–D · 3019 Ų buried · 30 hydrogen bonds · protein-protein
  • B–C · 3015 Ų buried · 30 hydrogen bonds · protein-protein
  • B–D · 352 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 6GYO · Structure of human HCN4 hyperpolarization-activated cyclic nucleotide- gated ion channel… · the same entry in another collection · chain D against D, TM-score 1.00
  • Q9Y3Q4 · AlphaFold monomer V2.0 prediction for POTASSIUM/SODIUM hyperpolarization-activated cyclic… · a predicted model of the same protein · chain A against A, TM-score 0.98

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