MolNFT v1 · #39099 · protein
Potassium channel kcsa-Fab complex with tetrabutylammonium (tba)
2HJF · Antibody fragment heavy chain: “Potassium channel kcsa-Fab complex with tetrabutylammonium (tba)”. X-ray diffraction, 2 ligands (TBA, K), 5 pockets (best druggability 0.66). MolNFT v1 #39099 on GenesisL1: 3D structure, binding sites…
- PDB
- 2HJF
- Type
- protein
- Length
- 534 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody fragment heavy chain; Antibody fragment light chain; Voltage-gated potassium…
- UniProt
- P0A334
- Ligands
- TBA, K
- Pockets
- 5 · best druggability 0.66
Structure
x-ray diffraction · 3 distinct chains · 18% helix, 39% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody fragment heavy chain | protein | 219 | 3% helix, 45% strand | — |
| B | Antibody fragment light chain | protein | 212 | 6% helix, 51% strand | — |
| C | Voltage-gated potassium channel | protein | 103 | 74% helix, 0% strand | P0A334 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 715 | 0.66 | 0.75 | 64 | empty |
| 2 | 74 | 0.62 | 0.91 | 20 | empty |
| 3 | 258 | 0.57 | 0.78 | 40 | empty |
| 4 | 71 | 0.48 | 0.84 | 20 | empty |
| 5 | 99 | 0.35 | 0.74 | 18 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1771 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 496 Ų buried · 8 hydrogen bonds · protein-protein
- B–C · 419 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 2HJF · Potassium channel kcsa-fab complex with tetrabutylammonium (TBA) · 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 2HJF · PDBe 2HJF · UniProt P0A334
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