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MolNFT v1 · #80575 · protein

Tetramerization dynamics of the C-terminus underlies isoform-specific camp-gating in hcn channels

3U0Z · POTASSIUM/SODIUM hyperpolarization-activated cyclic…: “Tetramerization dynamics of the C-terminus underlies isoform-specific camp-gating in hcn channels”. X-ray diffraction, 1 ligand (CMP), 6 pockets (best druggability 0.73). MolNFT…

PDB
3U0Z
Type
protein
Length
398 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
POTASSIUM/SODIUM hyperpolarization-activated cyclic nucleotide-gated channel 1
UniProt
O88704
Ligands
CMP
Pockets
6 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 52% helix, 18% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BPOTASSIUM/SODIUM hyperpolarization-activated cyclic nucleotide-gated channel 1protein19952% helix, 18% strandO88704

Ligands and binding sites

  • CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · 2 copies · chains A, B

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

Pockets

6 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11170.730.9320CMP
21300.710.9121CMP
32920.540.7528empty
42160.510.7627empty
52480.500.7525empty

Interfaces

1 interface between chains.

  • A–B · 285 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3U0Z · Tetramerization dynamics of the C-terminus underlies isoform-specific cAMP-gating in HCN… · the same entry in another collection · chain A against A, TM-score 1.00
  • O88704 · AlphaFold monomer V2.0 prediction for POTASSIUM/SODIUM hyperpolarization-activated cyclic… · a predicted model of the same protein · chain A against A, TM-score 0.97

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