MolNFT v1 · #154773 · protein
Pore structure of iota toxin binding component (ib)
6KLX · Iota toxin component ib: “Pore structure of iota toxin binding component (ib)”. Electron microscopy, 1 ligand (CA), 20 pockets (best druggability 0.78). MolNFT v1 #154773 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6KLX
- Type
- protein
- Length
- 2,576 residues
- Chains
- 7
- Method
- electron microscopy
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Iota toxin component ib
- UniProt
- Q46221
- Ligands
- CA
- Pockets
- 20 · best druggability 0.78
Structure
electron microscopy · 1 distinct chain · 16% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D, E, F, G | Iota toxin component ib | protein | 368 | 16% helix, 37% strand | Q46221 |
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, 16 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1015 | 0.78 | 0.80 | 109 | empty |
| 2 | 1019 | 0.78 | 0.80 | 110 | empty |
| 3 | 1035 | 0.78 | 0.80 | 119 | empty |
| 4 | 1140 | 0.78 | 0.80 | 122 | empty |
| 5 | 1078 | 0.78 | 0.80 | 125 | empty |
Interfaces
7 interfaces between chains.
- F–G · 2657 Ų buried · 47 hydrogen bonds · protein-protein
- B–C · 2654 Ų buried · 46 hydrogen bonds · protein-protein
- E–F · 2648 Ų buried · 47 hydrogen bonds · protein-protein
- D–E · 2641 Ų buried · 43 hydrogen bonds · protein-protein
- A–B · 2640 Ų buried · 42 hydrogen bonds · protein-protein
Compared structures
- 6KLX · Pore structure of Iota toxin binding component (Ib) · 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
- Elsewhere: RCSB PDB 6KLX · PDBe 6KLX · UniProt Q46221
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