Research workbench
Flavin-dependent tryptophan halogenase thal: N-terminally his-tagged form of quintuple mutant (nhis-thal-REBH5)
Analyse Flavin-dependent tryptophan halogenase thal: N-terminally his-tagged form of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7AQU
- Type
- protein
- Length
- 1,048 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan 6-halogenase
- UniProt
- A1E280
- Ligands
- GLY, BCN, ALA, SER
- Pockets
- 15 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan 6-halogenase | protein | 525 | 40% helix, 20% strand | A1E280 |
| B | Tryptophan 6-halogenase | protein | 523 | 40% helix, 21% strand | A1E280 |
Ligands and binding sites
- GLY · Glycine · ligand · 7 copies · chains A, B
- BCN · Bicine · ligand · chains A
- ALA · Alanine · ligand · chains A
- SER · Serine · ligand · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
15 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1140 | 0.81 | 0.82 | 107 | GOL |
| 2 | 795 | 0.77 | 0.81 | 66 | GLY |
| 3 | 363 | 0.75 | 0.86 | 62 | GOL, GLY |
| 4 | 467 | 0.69 | 0.80 | 52 | GOL |
| 5 | 66 | 0.54 | 0.87 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 1951 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 7AQU · Flavin-dependent tryptophan halogenase Thal: N-terminally His-tagged form of quintuple… · 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 A1E280
- Elsewhere: RCSB PDB 7AQU · PDBe 7AQU · UniProt A1E280
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