MolNFT v1 · #108031 · protein
Potassium channel kcsa-Fab with tetrahexylammonium
4UUJ · Antibody Fab fragment light chain: “Potassium channel kcsa-Fab with tetrahexylammonium”. X-ray diffraction, 7 ligands (F09, XA7, IND), 7 pockets (best druggability 0.67). MolNFT v1 #108031 on GenesisL1: 3D structure, binding sites…
- PDB
- 4UUJ
- Type
- protein
- Length
- 542 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, XA7, IND, DGA, K, CO, PO4
- Pockets
- 7 · best druggability 0.67
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody Fab fragment light chain | protein | 219 | 3% helix, 49% strand | — |
| B | Antibody Fab fragment heavy chain | protein | 212 | 6% helix, 49% strand | — |
| C | Voltage-gated potassium channel kcsa | protein | 111 | 73% helix, 0% strand | P0A334 |
Ligands and binding sites
- F09 · Nonan-1-ol · ligand · 4 copies · chains A, C
- XA7 · Tetrahexyl ammonnium · ligand · 2 copies · chains C
- IND · Indole · ligand · chains B
- DGA · Diacyl glycerol · ligand · chains C
- K · Potassium ion · metal · 4 copies · chains C
- CO · Cobalt (II) ion · metal · chains C
- PO4 · Phosphate ion · ion · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 690 | 0.67 | 0.76 | 61 | empty |
| 2 | 54 | 0.51 | 0.87 | 15 | empty |
| 3 | 62 | 0.49 | 0.85 | 17 | empty |
| 4 | 69 | 0.48 | 0.84 | 22 | empty |
| 5 | 161 | 0.46 | 0.76 | 29 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1797 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 477 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 446 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 4UUJ · Potassium channel kcsa-Fab with tetrahexylammonium · the same entry in another collection · chain A against A, TM-score 1.00
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 4UUJ · PDBe 4UUJ · UniProt P0A334
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