Research workbench
Complex structure of iota toxin enzymatic component (ia) and binding component (ib) pore with long stem
Analyse Complex structure of iota toxin enzymatic component (ia) and binding component… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6KLW
- Type
- protein
- Length
- 3,238 residues
- Chains
- 8
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iota toxin component ib; Iota toxin component ia
- UniProt
- Q46221, Q46220
- Ligands
- CA
- Pockets
- 20 · best druggability 0.84
Structure
electron microscopy · 2 distinct chains · 23% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Iota toxin component ib | protein | 406 | 15% helix, 41% strand | Q46221 |
| H | Iota toxin component ia | protein | 396 | 31% helix, 27% strand | Q46220 |
Ligands and binding sites
- CA · Calcium ion · metal · 14 copies · chains A, B, C, D, E, F, G
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 554 | 0.84 | 0.90 | 91 | empty |
| 2 | 520 | 0.84 | 0.90 | 77 | empty |
| 3 | 1154 | 0.79 | 0.80 | 129 | empty |
| 4 | 283 | 0.78 | 0.90 | 56 | empty |
| 5 | 1109 | 0.77 | 0.79 | 131 | empty |
Interfaces
14 interfaces between chains.
- F–G · 3395 Ų buried · 80 hydrogen bonds · protein-protein
- E–F · 3387 Ų buried · 78 hydrogen bonds · protein-protein
- A–B · 3370 Ų buried · 76 hydrogen bonds · protein-protein
- C–D · 3349 Ų buried · 77 hydrogen bonds · protein-protein
- D–E · 3343 Ų buried · 68 hydrogen bonds · protein-protein
Compared structures
- 6KLW · Complex structure of Iota toxin enzymatic component (Ia) and binding component (Ib) pore… · 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 Q46221
- Every structure of UniProt Q46220
- Elsewhere: RCSB PDB 6KLW · PDBe 6KLW · UniProt Q46221 · UniProt Q46220
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