MolNFT v1 · #174052 · protein
Inulosucrase from halalkalicoccus jeotgali in complex with sucrose
7BJC · Levansucrase: “Inulosucrase from halalkalicoccus jeotgali in complex with sucrose”. X-ray diffraction, 2 ligands (GLC, FRU), 20 pockets (best druggability 0.79). MolNFT v1 #174052 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7BJC
- Type
- protein
- Length
- 4,054 residues
- Chains
- 10
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Levansucrase
- UniProt
- D8J9C2
- Ligands
- GLC, FRU
- Pockets
- 20 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 6% helix, 44% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, E, G, H, J | Levansucrase | protein | 405 | 6% helix, 43% strand | D8J9C2 |
| C, D, F, I | Levansucrase | protein | 406 | 7% helix, 44% strand | D8J9C2 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 10 copies · chains A, B, C, D, E, F, G, H, I, J
- FRU · beta-D-fructofuranose · sugar · 10 copies · chains A, B, C, D, E, F, G, H, I, J
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 20 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1054 | 0.79 | 0.81 | 129 | empty |
| 2 | 974 | 0.79 | 0.81 | 110 | empty |
| 3 | 968 | 0.79 | 0.81 | 111 | empty |
| 4 | 913 | 0.74 | 0.78 | 78 | GLC, FRU |
| 5 | 405 | 0.69 | 0.81 | 36 | GLC, FRU |
Interfaces
14 interfaces between chains.
- A–H · 661 Ų buried · 17 hydrogen bonds · protein-protein
- I–J · 630 Ų buried · 19 hydrogen bonds · protein-protein
- B–D · 583 Ų buried · 3 hydrogen bonds · protein-protein
- A–J · 581 Ų buried · 2 hydrogen bonds · protein-protein
- E–H · 512 Ų buried · 2 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 disulfide (disulfide).
Compared structures
- 7BJC · Inulosucrase from Halalkalicoccus jeotgali in complex with sucrose · 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 D8J9C2
- Elsewhere: RCSB PDB 7BJC · PDBe 7BJC · UniProt D8J9C2
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