MolNFT v1 · #67296 · protein
Potassium channel kcsa-Fab complex in li+ and K+
3IGA · Antibody Fab fragment heavy chain: “Potassium channel kcsa-Fab complex in li+ and K+”. X-ray diffraction, 2 ligands (DGA, NI), 6 pockets (best druggability 0.68). MolNFT v1 #67296 on GenesisL1: 3D structure, binding sites and…
- PDB
- 3IGA
- Type
- protein
- Length
- 534 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Antibody Fab fragment heavy chain; Antibody Fab fragment light chain; Voltage-gated…
- UniProt
- P0A334
- Ligands
- DGA, NI
- Pockets
- 6 · best druggability 0.68
Structure
x-ray diffraction · 3 distinct chains · 17% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Antibody Fab fragment heavy chain | protein | 219 | 1% helix, 49% strand | — |
| B | Antibody Fab 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
6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 710 | 0.68 | 0.76 | 58 | empty |
| 2 | 72 | 0.53 | 0.86 | 18 | empty |
| 3 | 179 | 0.53 | 0.79 | 37 | empty |
| 4 | 64 | 0.51 | 0.85 | 16 | empty |
| 5 | 54 | 0.49 | 0.86 | 20 | empty |
Interfaces
3 interfaces between chains.
- A–B · 1890 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 483 Ų buried · 11 hydrogen bonds · protein-protein
- B–C · 440 Ų buried · 11 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 disulfide (disulfide).
Compared structures
- 3IGA · Potassium Channel KcsA-Fab complex in Li+ and K+ · 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 3IGA · PDBe 3IGA · UniProt P0A334
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