MolNFT v1 · #184806 · protein
4,6-alpha-glucanotransferase gtfb from limosilactobacillus reuteri ncc 2613 complexed with acarbose
7P39 · Dextransucrase: “4,6-alpha-glucanotransferase gtfb from limosilactobacillus reuteri ncc 2613 complexed with acarbose”. X-ray diffraction, 5 ligands (AC1, BGC, GLC), 13 pockets (best druggability 0.85). MolNFT v1 #184806 on…
- PDB
- 7P39
- Type
- protein
- Length
- 1,664 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Dextransucrase
- EC
- 2.4.1.5
- UniProt
- A0A1Z2RUH3
- Ligands
- AC1, BGC, GLC, CA, SO4
- Pockets
- 13 · 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 | Dextransucrase (EC 2.4.1.5) | protein | 832 | 30% helix, 19% strand | A0A1Z2RUH3 |
Ligands and binding sites
- AC1 · 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose · ligand · 2 copies · chains A, B
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GLC · alpha-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
13 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1039 | 0.85 | 0.86 | 96 | empty |
| 2 | 896 | 0.72 | 0.77 | 86 | empty |
| 3 | 933 | 0.72 | 0.76 | 84 | empty |
| 4 | 218 | 0.56 | 0.79 | 42 | empty |
| 5 | 346 | 0.55 | 0.75 | 40 | AC1 |
Interfaces
1 interface between chains.
- A–B · 1263 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 7P39 · 4,6-alpha-glucanotransferase GtfB from Limosilactobacillus reuteri NCC 2613 complexed… · 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 A0A1Z2RUH3
- Elsewhere: RCSB PDB 7P39 · PDBe 7P39 · UniProt A0A1Z2RUH3
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