MolNFT v2 · #187324 · protein
ThuS glycosin S-glycosyltransferase
7MSK · Glyco_trans_2-like domain-containing protein: “ThuS glycosin S-glycosyltransferase”. X-ray diffraction at 2.06, 2 ligands (U2F, MG), 8 pockets (best druggability 0.82). MolNFT v2 #187324 on GenesisL1: 3D structure, binding sites and…
- PDB
- 7MSK
- Type
- protein
- Length
- 842 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2.06
- Source
- Bacillus thuringiensis serovar andalousiensis BGSC 4AW1
- Molecule
- Glyco_trans_2-like domain-containing protein
- UniProt
- C3GCL5
- Ligands
- U2F, MG
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · resolution 2.06 · 2 distinct chains · 49% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glyco_trans_2-like domain-containing protein | protein | 421 | 50% helix, 15% strand | C3GCL5 |
| B | Glyco_trans_2-like domain-containing protein | protein | 421 | 49% helix, 14% strand | C3GCL5 |
Ligands and binding sites
- U2F · Uridine-5'-diphosphate-2-deoxy-2-fluoro-alpha-D-glucose · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.82 | 0.83 | 83 | MG, U2F |
| 2 | 855 | 0.82 | 0.84 | 68 | MG, U2F |
| 3 | 125 | 0.50 | 0.79 | 24 | empty |
| 4 | 50 | 0.40 | 0.82 | 13 | empty |
| 5 | 67 | 0.39 | 0.79 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 2814 Ų buried · 34 hydrogen bonds · protein-protein
Compared structures
- 7MSK · Thus glycosin S-glycosyltransferase · 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 C3GCL5
- Elsewhere: RCSB PDB 7MSK · PDBe 7MSK · UniProt C3GCL5
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