MolNFT v1 · #58803 · protein
Structure of a bacterial cyclic nucleotide regulated ion channel
3BEH · MLL3241 protein: “Structure of a bacterial cyclic nucleotide regulated ion channel”. X-ray diffraction, 1 ligand (K), 13 pockets (best druggability 0.75). MolNFT v1 #58803 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 3BEH
- Type
- protein
- Length
- 895 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MLL3241 protein
- UniProt
- Q98GN8
- Ligands
- K
- Pockets
- 13 · best druggability 0.75
Structure
x-ray diffraction · 4 distinct chains · 75% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MLL3241 protein | protein | 222 | 77% helix, 0% strand | Q98GN8 |
| B | MLL3241 protein | protein | 222 | 76% helix, 0% strand | Q98GN8 |
| C | MLL3241 protein | protein | 226 | 73% helix, 0% strand | Q98GN8 |
| D | MLL3241 protein | protein | 225 | 74% helix, 0% strand | Q98GN8 |
Ligands and binding sites
- K · Potassium ion · metal · 5 copies · chains A, B, C, D
- LDA · Lauryl dimethylamine-N-oxide · additive · 4 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 65 | 0.75 | 0.99 | 14 | empty |
| 2 | 408 | 0.62 | 0.77 | 43 | LDA |
| 3 | 405 | 0.60 | 0.75 | 37 | LDA |
| 4 | 361 | 0.59 | 0.75 | 30 | LDA |
| 5 | 301 | 0.56 | 0.76 | 34 | LDA |
Interfaces
6 interfaces between chains.
- C–D · 1828 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 1787 Ų buried · 8 hydrogen bonds · protein-protein
- A–D · 1769 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 1753 Ų buried · 9 hydrogen bonds · protein-protein
- A–C · 83 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3BEH · Structure of a Bacterial Cyclic Nucleotide Regulated Ion Channel · the same entry in another collection · chain D against D, TM-score 1.00
- Q98GN8 · AlphaFold monomer V2.0 prediction for cyclic nucleotide-gated potassium channel MLL3241… · a predicted model of the same protein · chain A against A, TM-score 0.93
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 Q98GN8
- Elsewhere: RCSB PDB 3BEH · PDBe 3BEH · UniProt Q98GN8
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.