Research workbench
Crystal structure of inulin fructotransferase in the absence of substrate
Analyse Crystal structure of inulin fructotransferase in the absence of substrate in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2INU
- Type
- protein
- Length
- 1,197 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inulin fructotransferase
- EC
- 4.2.2.18
- UniProt
- Q3SAG3
- Ligands
- 2PO
- Pockets
- 13 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 8% helix, 41% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Inulin fructotransferase (EC 4.2.2.18) | protein | 399 | 8% helix, 41% strand | Q3SAG3 |
Ligands and binding sites
- 2PO · Phosphonate · ligand · 2 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 246 | 0.82 | 0.95 | 44 | 2PO |
| 2 | 482 | 0.74 | 0.83 | 36 | 2PO |
| 3 | 316 | 0.68 | 0.82 | 28 | empty |
| 4 | 302 | 0.67 | 0.82 | 30 | empty |
| 5 | 319 | 0.67 | 0.82 | 26 | empty |
Interfaces
3 interfaces between chains.
- A–B · 2267 Ų buried · 37 hydrogen bonds · protein-protein
- B–C · 2262 Ų buried · 38 hydrogen bonds · protein-protein
- A–C · 2257 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 2INU · Crystal structure of Inulin fructotransferase in the absence of substrate · 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 Q3SAG3
- Elsewhere: RCSB PDB 2INU · PDBe 2INU · UniProt Q3SAG3
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