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The crystal structure of isomaltulose synthase mutant E295Q from erwinia rhapontici NX5 in complex with its natural substrate sucrose
Analyse The crystal structure of isomaltulose synthase mutant E295Q from erwinia… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4HPH
- Type
- protein
- Length
- 559 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sucrose isomerase
- EC
- 5.4.99.11
- UniProt
- D9MPF2
- Ligands
- GLC, FRU, CA
- Pockets
- 6 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sucrose isomerase (EC 5.4.99.11) | protein | 559 | 33% helix, 18% strand | D9MPF2 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · chains A
- FRU · beta-D-fructofuranose · sugar · chains A
- CA · Calcium ion · metal · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 140 | 0.80 | 0.97 | 24 | GLC, FRU |
| 2 | 191 | 0.55 | 0.79 | 21 | empty |
| 3 | 173 | 0.44 | 0.75 | 27 | GOL |
| 4 | 97 | 0.39 | 0.77 | 21 | empty |
| 5 | 78 | 0.39 | 0.78 | 15 | empty |
Compared structures
- 4HPH · The crystal structure of isomaltulose synthase mutant E295Q from Erwinia rhapontici NX5… · 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 D9MPF2
- Elsewhere: RCSB PDB 4HPH · PDBe 4HPH · UniProt D9MPF2
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