MolNFT v1 · #123160 · protein
4,6-alpha-glucanotransferase gtfb (D1015N mutant) from lactobacillus reuteri 121 complexed with maltopentaose
5JBF · Inactive glucansucrase: “4,6-alpha-glucanotransferase gtfb (D1015N mutant) from lactobacillus reuteri 121 complexed with maltopentaose”. X-ray diffraction, 3 ligands (GLC, CA, SO4), 14 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 5JBF
- 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, CA, SO4
- Pockets
- 14 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 30% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Inactive glucansucrase (EC 2.4.1.5) | protein | 854 | 30% helix, 18% strand | Q5SBM0 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 21 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1063 | 0.86 | 0.87 | 133 | GLC |
| 2 | 962 | 0.86 | 0.87 | 107 | GLC |
| 3 | 125 | 0.62 | 0.86 | 22 | SO4 |
| 4 | 101 | 0.62 | 0.88 | 23 | empty |
| 5 | 87 | 0.61 | 0.89 | 27 | empty |
Interfaces
1 interface between chains.
- A–B · 1205 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 5JBF · 4,6-alpha-glucanotransferase GTFB (D1015N mutant) from Lactobacillus reuteri 121… · 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 5JBF · PDBe 5JBF · UniProt Q5SBM0
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