Research workbench
Structure of the tetx monooxygenase in complex with the substrate 7-chlortetracycline
Analyse Structure of the tetx monooxygenase in complex with the substrate… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2Y6R
- Type
- protein
- Length
- 1,460 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- TETX2 protein
- UniProt
- Q93L51
- Ligands
- FAD, CTC, SO4
- Pockets
- 18 · best druggability 0.80
Structure
x-ray diffraction · 3 distinct chains · 32% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | TETX2 protein | protein | 366 | 32% helix, 24% strand | Q93L51 |
| C | TETX2 protein | protein | 363 | 33% helix, 24% strand | Q93L51 |
| D | TETX2 protein | protein | 365 | 32% helix, 25% strand | Q93L51 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 4 copies · chains A, B, C, D
- CTC · 7-chlorotetracycline · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 11 copies · chains A, D, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
18 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 786 | 0.80 | 0.84 | 82 | SO4 |
| 2 | 925 | 0.79 | 0.82 | 79 | FAD, CTC |
| 3 | 1090 | 0.78 | 0.80 | 84 | FAD, CTC |
| 4 | 1151 | 0.78 | 0.80 | 84 | FAD, CTC |
| 5 | 1085 | 0.78 | 0.79 | 83 | FAD, CTC |
Interfaces
4 interfaces between chains.
- A–D · 954 Ų buried · 16 hydrogen bonds · protein-protein
- A–B · 464 Ų buried · 1 hydrogen bond · protein-protein
- A–C · 338 Ų buried · 2 hydrogen bonds · protein-protein
- C–D · 212 Ų buried · 2 hydrogen bonds · protein-protein
Compared structures
- 2Y6R · Structure of the TetX monooxygenase in complex with the substrate 7- chlortetracycline · 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 D 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 2Y6R · PDBe 2Y6R · UniProt Q93L51
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