Research workbench
4,6-alpha-glucanotransferase gtfb from lactobacillus reuteri 121 complexed with an isomalto-maltopentasaccharide
Analyse 4,6-alpha-glucanotransferase gtfb from lactobacillus reuteri 121 complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5JBE
- Type
- protein
- Length
- 1,708 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Inactive glucansucrase
- EC
- 2.4.1.5
- UniProt
- Q5SBM0
- Ligands
- GLC, BGC, CA, SO4
- Pockets
- 17 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inactive glucansucrase (EC 2.4.1.5) | protein | 854 | 30% helix, 19% strand | Q5SBM0 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 12 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- ACT · Acetate ion · additive · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 943 | 0.85 | 0.87 | 113 | GLC |
| 2 | 956 | 0.85 | 0.87 | 109 | GLC |
| 3 | 122 | 0.65 | 0.88 | 26 | SO4, ACT |
| 4 | 78 | 0.63 | 0.91 | 24 | empty |
| 5 | 260 | 0.60 | 0.80 | 49 | empty |
Interfaces
1 interface between chains.
- A–B · 1114 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 5JBE · 4,6-alpha-glucanotransferase GTFB from Lactobacillus reuteri 121 complexed with an… · 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 Q5SBM0
- Elsewhere: RCSB PDB 5JBE · PDBe 5JBE · UniProt Q5SBM0
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