MolNFT v1 · #154764 · protein
Complex structure of iota toxin enzymatic component (ia) and binding component (ib) pore with short stem
6KLO · Iota toxin component ib: “Complex structure of iota toxin enzymatic component (ia) and binding component (ib) pore with short stem”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.84). MolNFT v1 #154764 on…
- PDB
- 6KLO
- Type
- protein
- Length
- 2,972 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 · 26% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Iota toxin component ib | protein | 368 | 17% helix, 38% strand | Q46221 |
| H | Iota toxin component ia | protein | 396 | 35% 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 | 668 | 0.84 | 0.89 | 90 | empty |
| 2 | 346 | 0.81 | 0.91 | 71 | empty |
| 3 | 1109 | 0.79 | 0.81 | 130 | empty |
| 4 | 337 | 0.79 | 0.89 | 56 | empty |
| 5 | 353 | 0.77 | 0.88 | 64 | empty |
Interfaces
14 interfaces between chains.
- E–F · 2707 Ų buried · 52 hydrogen bonds · protein-protein
- F–G · 2706 Ų buried · 65 hydrogen bonds · protein-protein
- C–D · 2660 Ų buried · 52 hydrogen bonds · protein-protein
- B–C · 2660 Ų buried · 51 hydrogen bonds · protein-protein
- D–E · 2659 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 6KLO · 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 6KLO · PDBe 6KLO · UniProt Q46221 · UniProt Q46220
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