MolNFT v1 · #62916 · protein
X-ray structure of cysteine-free fragment of MHCN2 C-terminal region from amino acids 443-630 including C508N, C584S, and C601S mutations
3ETQ · POTASSIUM/SODIUM hyperpolarization-activated cyclic…: “X-ray structure of cysteine-free fragment of MHCN2 C-terminal region from amino acids 443-630 including…”. X-ray diffraction, 1 ligand (CMP), 5 pockets (best druggability 0.67).…
- PDB
- 3ETQ
- Type
- protein
- Length
- 385 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- POTASSIUM/SODIUM hyperpolarization-activated cyclic nucleotide-gated channel 2
- UniProt
- O88703
- Ligands
- CMP
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POTASSIUM/SODIUM hyperpolarization-activated cyclic nucleotide-gated channel 2 | protein | 194 | 54% helix, 18% strand | O88703 |
| B | POTASSIUM/SODIUM hyperpolarization-activated cyclic nucleotide-gated channel 2 | protein | 191 | 54% helix, 20% strand | O88703 |
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
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.67 | 0.91 | 21 | CMP |
| 2 | 124 | 0.61 | 0.86 | 20 | CMP |
| 3 | 220 | 0.46 | 0.73 | 23 | empty |
| 4 | 205 | 0.45 | 0.73 | 25 | empty |
| 5 | 133 | 0.43 | 0.76 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 580 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 3ETQ · X-ray structure of cysteine-free fragment of mHCN2 C-terminal region from amino acids… · the same entry in another collection · chain A against A, TM-score 1.00
- O88703 · 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
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt O88703
- Elsewhere: RCSB PDB 3ETQ · PDBe 3ETQ · UniProt O88703
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