MolNFT v1 · #189618 · protein
Structure of human KCNQ4-ML213 complex in digitonin
7VNR · Potassium voltage-gated channel subfamily kqt member 4…: “Structure of human KCNQ4-ML213 complex in digitonin”. Electron microscopy, 2 ligands (7YV, K), 20 pockets (best druggability 0.85). MolNFT v1 #189618 on GenesisL1: 3D…
- PDB
- 7VNR
- Type
- protein
- Length
- 1,896 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium voltage-gated channel subfamily kqt member 4, maltodextrin-binding protein…
- UniProt
- P56696, P0DP25
- Ligands
- 7YV, K
- Pockets
- 20 · best druggability 0.85
Structure
electron microscopy · 2 distinct chains · 71% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, C, E, G | Potassium voltage-gated channel subfamily kqt member 4, maltodextrin-binding protein | protein | 333 | 76% helix, 0% strand | P56696 |
| B, D, F, H | Calmodulin-3 | protein | 141 | 58% helix, 7% strand | P0DP25 |
Ligands and binding sites
- 7YV · (1S,2S,4R)-N-(2,4,6-trimethylphenyl) bicyclo[2.2.1]heptane-2-carboxamid · ligand · 4 copies · chains A, C, E, G
- K · Potassium ion · metal · 3 copies · chains A, C, E, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1060 | 0.85 | 0.85 | 135 | 7YV, K |
| 2 | 1153 | 0.81 | 0.82 | 66 | empty |
| 3 | 75 | 0.73 | 0.96 | 17 | empty |
| 4 | 150 | 0.72 | 0.90 | 25 | empty |
| 5 | 194 | 0.71 | 0.88 | 40 | empty |
Interfaces
18 interfaces between chains.
- A–C · 2521 Ų buried · 15 hydrogen bonds · protein-protein
- C–E · 2517 Ų buried · 17 hydrogen bonds · protein-protein
- A–G · 2500 Ų buried · 18 hydrogen bonds · protein-protein
- E–G · 2486 Ų buried · 15 hydrogen bonds · protein-protein
- A–B · 2063 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7VNR · Structure of human KCNQ4-ML213 complex in digitonin · the same entry in another collection · chain H against H, TM-score 1.00
- P56696 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily kqt… · a predicted model of the same protein · chain G against A, TM-score 0.77
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 P56696
- Every structure of UniProt P0DP25
- Elsewhere: RCSB PDB 7VNR · PDBe 7VNR · UniProt P56696 · UniProt P0DP25
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