Research workbench
Rieske non-heme iron monooxygenase for guaiacol O-demethylation
Analyse Rieske non-heme iron monooxygenase for guaiacol O-demethylation in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7QWT
- Type
- protein
- Length
- 3,161 residues
- Chains
- 9
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Rieske (2FE-2S) domain protein
- UniProt
- A5VBE6
- Ligands
- FES, FE
- Pockets
- 20 · best druggability 0.77
Structure
x-ray diffraction · 2 distinct chains · 25% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, E | Rieske (2FE-2S) domain protein | protein | 352 | 25% helix, 30% strand | A5VBE6 |
| B, C, D, F, G, H, I | Rieske (2FE-2S) domain protein | protein | 351 | 25% helix, 30% strand | A5VBE6 |
Ligands and binding sites
- FES · Fe2/s2 (inorganic) cluster · ligand · 9 copies · chains A, B, C, D, E, F, G, H, I
- FE · Fe (III) ion · metal · 9 copies · chains A, B, C, D, E, F, G, H, I
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 | 81 | 0.77 | 0.99 | 21 | FE |
| 2 | 70 | 0.76 | 0.99 | 21 | empty |
| 3 | 73 | 0.76 | 0.98 | 20 | empty |
| 4 | 75 | 0.75 | 0.98 | 22 | empty |
| 5 | 71 | 0.75 | 0.98 | 21 | empty |
Interfaces
11 interfaces between chains.
- D–E · 1165 Ų buried · 19 hydrogen bonds · protein-protein
- E–F · 1162 Ų buried · 18 hydrogen bonds · protein-protein
- A–C · 1141 Ų buried · 14 hydrogen bonds · protein-protein
- D–F · 1132 Ų buried · 18 hydrogen bonds · protein-protein
- B–C · 1123 Ų buried · 18 hydrogen bonds · protein-protein
Compared structures
- 7QWT · Rieske non-heme iron monooxygenase for guaiacol O-demethylation · 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 A5VBE6
- Elsewhere: RCSB PDB 7QWT · PDBe 7QWT · UniProt A5VBE6
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