MolNFT v1 · #54752 · protein
Structural basis for a new tetracycline resistance mechanism relying on the tetx monooxygenase
2XYO · TETX2: “Structural basis for a new tetracycline resistance mechanism relying on the tetx monooxygenase”. X-ray diffraction, 2 ligands (FAD, SO4), 17 pockets (best druggability 0.80). MolNFT v1 #54752 on GenesisL1: 3D structure…
- PDB
- 2XYO
- Type
- protein
- Length
- 1,466 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TETX2
- UniProt
- Q93L51
- Ligands
- FAD, SO4
- Pockets
- 17 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 33% helix, 25% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | TETX2 | protein | 367 | 33% helix, 25% strand | Q93L51 |
| C, D | TETX2 | protein | 366 | 33% helix, 25% strand | Q93L51 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 8 copies · chains A, B, C, D
- GOL · Glycerol · additive · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
17 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 919 | 0.80 | 0.82 | 72 | FAD |
| 2 | 996 | 0.80 | 0.81 | 84 | empty |
| 3 | 885 | 0.79 | 0.82 | 75 | FAD |
| 4 | 1078 | 0.78 | 0.80 | 87 | FAD |
| 5 | 1072 | 0.78 | 0.80 | 89 | FAD |
Interfaces
4 interfaces between chains.
- B–C · 921 Ų buried · 13 hydrogen bonds · protein-protein
- A–B · 513 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 246 Ų buried · 1 hydrogen bond · protein-protein
- B–D · 89 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 40 modified (engineered).
Compared structures
- 2XYO · Structural basis for a new tetracycline resistance mechanism relying on the TetX… · the same entry in another collection · chain A against A, TM-score 1.00
- Q93L51 · AlphaFold monomer V2.0 prediction for flavin-dependent monooxygenase (Q93L51) · a predicted model of the same protein · chain C against A, TM-score 0.99
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 Q93L51
- Elsewhere: RCSB PDB 2XYO · PDBe 2XYO · UniProt Q93L51
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.