MolNFT v1 · #20075 · protein
Potassium channel kcsa-Fab complex in high concentration of tl+
1R3J · Antibody Fab fragment light chain: “Potassium channel kcsa-Fab complex in high concentration of tl+”. X-ray diffraction, 3 ligands (F09, DGA, TL), 6 pockets (best druggability 0.67). MolNFT v1 #20075 on GenesisL1: 3D structure…
- PDB
- 1R3J
- Type
- protein
- Length
- 534 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody Fab fragment light chain; Antibody Fab fragment heavy chain; Voltage-gated…
- UniProt
- P0A334
- Ligands
- F09, DGA, TL
- Pockets
- 6 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 19% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody Fab fragment light chain | protein | 212 | 6% helix, 50% strand | — |
| B | Antibody Fab fragment heavy chain | protein | 219 | 5% helix, 49% strand | — |
| C | Voltage-gated potassium channel | protein | 103 | 74% helix, 0% strand | P0A334 |
Ligands and binding sites
- F09 · Nonan-1-ol · ligand · chains B, C
- DGA · Diacyl glycerol · ligand · chains C
- TL · Thallium (I) ion · metal · 5 copies · chains C
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 | 700 | 0.67 | 0.75 | 56 | empty |
| 2 | 68 | 0.51 | 0.86 | 21 | empty |
| 3 | 81 | 0.51 | 0.84 | 17 | empty |
| 4 | 54 | 0.47 | 0.85 | 13 | empty |
| 5 | 123 | 0.47 | 0.78 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1826 Ų buried · 20 hydrogen bonds · protein-protein
- B–C · 488 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 403 Ų buried · 6 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 disulfide (disulfide).
Compared structures
- 1R3J · potassium channel KcsA-Fab complex in high concentration of Tl+ · the same entry in another collection · chain B against B, TM-score 1.00
- P0A334 · AlphaFold monomer V2.0 prediction for pH-gated potassium channel kcsa (P0A334) · a predicted model of the same protein · chain C 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 P0A334
- Elsewhere: RCSB PDB 1R3J · PDBe 1R3J · UniProt P0A334
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.