MolNFT v1 · #99944 · protein
Patoxg glycosyltransferase
4MIX · Putative insecticidal toxin: “Patoxg glycosyltransferase”. X-ray diffraction, 2 ligands (UD1, CA), 3 pockets (best druggability 0.81). MolNFT v1 #99944 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4MIX
- Type
- protein
- Length
- 553 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative insecticidal toxin
- EC
- 2.4.1.-
- UniProt
- C7BKP9
- Ligands
- UD1, CA
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 54% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative insecticidal toxin (EC 2.4.1.-) | protein | 276 | 55% helix, 12% strand | C7BKP9 |
| B | Putative insecticidal toxin (EC 2.4.1.-) | protein | 277 | 53% helix, 12% strand | C7BKP9 |
Ligands and binding sites
- UD1 · Uridine-diphosphate-N-acetylglucosamine · ligand · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1136 | 0.81 | 0.82 | 90 | empty |
| 2 | 63 | 0.34 | 0.77 | 12 | UD1 |
| 3 | 69 | 0.34 | 0.76 | 15 | UD1 |
Interfaces
1 interface between chains.
- A–B · 476 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified (engineered).
Compared structures
- 4MIX · PaToxG 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 C7BKP9
- Elsewhere: RCSB PDB 4MIX · PDBe 4MIX · UniProt C7BKP9
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