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Mutb inactive double mutant D200A-D415N soaked with sucrose and having as bound ligands sucrose in molecule a and the reaction product trehalulose in molecule B
Analyse Mutb inactive double mutant D200A-D415N soaked with sucrose and having as bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4H8U
- Type
- protein
- Length
- 1,108 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sucrose isomerase
- EC
- 5.4.11.99
- UniProt
- Q2PS28
- Ligands
- TEU, GLC, FRU, CA
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Sucrose isomerase (EC 5.4.11.99) | protein | 554 | 33% helix, 19% strand | Q2PS28 |
Ligands and binding sites
- TEU · 1-O-alpha-D-glucopyranosyl-D-fructose · ligand · chains B
- GLC · alpha-D-glucopyranose · sugar · chains A
- FRU · beta-D-fructofuranose · sugar · chains A
- CA · Calcium ion · metal · 2 copies · chains A, B
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 136 | 0.80 | 0.97 | 27 | TEU |
| 2 | 134 | 0.79 | 0.97 | 27 | GLC, FRU |
| 3 | 53 | 0.72 | 0.99 | 16 | empty |
| 4 | 361 | 0.61 | 0.77 | 39 | empty |
| 5 | 300 | 0.60 | 0.78 | 35 | empty |
Interfaces
1 interface between chains.
- A–B · 221 Ų buried · 4 hydrogen bonds · protein-protein
Compared structures
- 4H8U · MUTB inactive double mutant D200A-D415N soaked with sucrose and having as bound ligands… · 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 Q2PS28
- Elsewhere: RCSB PDB 4H8U · PDBe 4H8U · UniProt Q2PS28
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