Research workbench
Crystal structure of streptomyces albogriseolus flavin-dependent tryptophan 6-halogenase (thal) in complex with FAD and AMP
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
- 7CU1
- Type
- protein
- Length
- 1,059 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan 6-halogenase
- UniProt
- A1E280
- Ligands
- FAD, AMP
- Pockets
- 11 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan 6-halogenase | protein | 535 | 39% helix, 20% strand | A1E280 |
| B | Tryptophan 6-halogenase | protein | 524 | 40% helix, 21% strand | A1E280 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- AMP · Adenosine monophosphate · ligand · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1050 | 0.81 | 0.83 | 100 | empty |
| 2 | 451 | 0.80 | 0.87 | 67 | FAD |
| 3 | 814 | 0.75 | 0.79 | 69 | AMP |
| 4 | 63 | 0.71 | 0.97 | 17 | empty |
| 5 | 314 | 0.58 | 0.77 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 2271 Ų buried · 45 hydrogen bonds · protein-protein
Compared structures
- 7CU1 · 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 7CU1 · PDBe 7CU1 · UniProt A1E280
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