MolNFT v1 · #188112 · protein
Structure of xenopus KCNQ1-cam in complex with ML277
7TCI · Potassium voltage-gated channel subfamily kqt member 1: “Structure of xenopus KCNQ1-cam in complex with ML277”. Electron microscopy, 2 ligands (I0S, CA), 20 pockets (best druggability 0.81). MolNFT v1 #188112 on GenesisL1: 3D…
- PDB
- 7TCI
- Type
- protein
- Length
- 1,916 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Potassium voltage-gated channel subfamily kqt member 1; Calmodulin-1
- UniProt
- P70057, P0DP23
- Ligands
- I0S, CA
- Pockets
- 20 · best druggability 0.81
Structure
electron microscopy · 2 distinct chains · 74% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E, C, G | Potassium voltage-gated channel subfamily kqt member 1 | protein | 342 | 78% helix, 1% strand | P70057 |
| B, F, D, H | Calmodulin-1 | protein | 137 | 64% helix, 6% strand | P0DP23 |
Ligands and binding sites
- I0S · (2R)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-1-(4-methylbenzene-1-sulfonyl)piperidine-2-carboxamide · ligand · 4 copies · chains A, G, E, C
- CA · Calcium ion · metal · 12 copies · chains B, F, D, H
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 17 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 749 | 0.81 | 0.85 | 77 | empty |
| 2 | 257 | 0.81 | 0.93 | 46 | empty |
| 3 | 63 | 0.73 | 0.98 | 16 | empty |
| 4 | 445 | 0.73 | 0.83 | 68 | empty |
| 5 | 64 | 0.73 | 0.97 | 16 | empty |
Interfaces
18 interfaces between chains.
- A–C · 2719 Ų buried · 15 hydrogen bonds · protein-protein
- E–C · 2715 Ų buried · 15 hydrogen bonds · protein-protein
- E–G · 2713 Ų buried · 15 hydrogen bonds · protein-protein
- A–G · 2708 Ų buried · 15 hydrogen bonds · protein-protein
- E–F · 2381 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 7TCI · Structure of Xenopus KCNQ1-CaM in complex with ML277 · the same entry in another collection · chain H against H, TM-score 1.00
- P70057 · AlphaFold monomer V2.0 prediction for potassium voltage-gated channel subfamily kqt… · a predicted model of the same protein · chain A against A, TM-score 0.97
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 P70057
- Every structure of UniProt P0DP23
- Elsewhere: RCSB PDB 7TCI · PDBe 7TCI · UniProt P70057 · UniProt P0DP23
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.