MolNFT v1 · #18925 · protein
HCN2I 443-640 in the presence of camp, selenomethionine derivative
1Q43 · POTASSIUM/SODIUM hyperpolarization-activated cyclic…: “HCN2I 443-640 in the presence of camp, selenomethionine derivative”. X-ray diffraction, 1 ligand (CMP), 6 pockets (best druggability 0.61). MolNFT v1 #18925 on GenesisL1: 3D…
- PDB
- 1Q43
- Type
- protein
- Length
- 377 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
- 6 · best druggability 0.61
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | POTASSIUM/SODIUM hyperpolarization-activated cyclic nucleotide-gated channel 2 | protein | 189 | 54% helix, 20% strand | O88703 |
| B | POTASSIUM/SODIUM hyperpolarization-activated cyclic nucleotide-gated channel 2 | protein | 188 | 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
6 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 135 | 0.61 | 0.85 | 19 | CMP |
| 2 | 127 | 0.61 | 0.85 | 19 | CMP |
| 3 | 205 | 0.55 | 0.79 | 23 | empty |
| 4 | 210 | 0.50 | 0.76 | 39 | empty |
| 5 | 171 | 0.42 | 0.73 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 419 Ų buried · 5 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 16 modified (engineered).
Compared structures
- 1Q43 · HCN2I 443-640 in the presence of cAMP, selenomethionine derivative · 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 B 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 1Q43 · PDBe 1Q43 · UniProt O88703
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