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Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase Thal in complex with tryptophan
Analyse Crystal structure of Streptomyces albogriseolus flavin-dependent tryptophan… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 7CU0
- Type
- protein
- Length
- 1,061 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.95
- Source
- Streptomyces albogriseolus
- Molecule
- Tryptophan 6-halogenase
- UniProt
- A1E280
- Ligands
- TRP
- Pockets
- 19 · best druggability 0.76
Structure
x-ray diffraction · resolution 1.95 · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan 6-halogenase | protein | 531 | 40% helix, 21% strand | A1E280 |
| B | Tryptophan 6-halogenase | protein | 530 | 40% helix, 21% strand | A1E280 |
Ligands and binding sites
- TRP · Tryptophan · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
19 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 792 | 0.76 | 0.80 | 64 | empty |
| 2 | 764 | 0.76 | 0.80 | 59 | empty |
| 3 | 884 | 0.75 | 0.79 | 64 | empty |
| 4 | 63 | 0.74 | 0.99 | 19 | TRP |
| 5 | 71 | 0.74 | 0.98 | 24 | TRP |
Interfaces
1 interface between chains.
- A–B · 2007 Ų buried · 40 hydrogen bonds · protein-protein
Compared structures
- 7CU0 · Crystal structure of streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase… · 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 7CU0 · PDBe 7CU0 · UniProt A1E280
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