Research workbench
Crystal structure of a putative inositol catabolism protein iole (iole, LP_3607) from lactobacillus plantarum WCFS1 at 1.85 a resolution
Analyse Crystal structure of a putative inositol catabolism protein iole (iole… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CNY
- Type
- protein
- Length
- 600 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inositol catabolism protein iole
- UniProt
- Q88S37
- Pockets
- 4 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inositol catabolism protein iole | protein | 300 | 46% helix, 15% strand | Q88S37 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 218 | 0.69 | 0.86 | 30 | empty |
| 2 | 191 | 0.69 | 0.87 | 28 | empty |
| 3 | 54 | 0.27 | 0.74 | 15 | empty |
| 4 | 58 | 0.26 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 672 Ų buried · 15 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 3CNY · Crystal structure of a putative inositol catabolism protein iole (iole, lp_3607) from… · the same entry in another collection · chain A against A, TM-score 1.00
- Q88S37 · AlphaFold monomer V2.0 prediction for inosose dehydratase (Q88S37) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q88S37
- Elsewhere: RCSB PDB 3CNY · PDBe 3CNY · UniProt Q88S37
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