Research workbench
Tar14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis
Analyse Tar14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NSD
- Type
- protein
- Length
- 1,001 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.74
- Source
- Saccharomonospora sp. CNQ490
- Molecule
- Tryptophan halogenase
- UniProt
- W5VG40
- Ligands
- FAD, SO4
- Pockets
- 10 · best druggability 0.81
Structure
x-ray diffraction · resolution 1.74 · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan halogenase | protein | 503 | 40% helix, 21% strand | W5VG40 |
| B | Tryptophan halogenase | protein | 498 | 41% helix, 20% strand | W5VG40 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 369 | 0.81 | 0.90 | 57 | FAD |
| 2 | 442 | 0.80 | 0.88 | 67 | FAD |
| 3 | 1195 | 0.79 | 0.80 | 105 | empty |
| 4 | 160 | 0.48 | 0.77 | 20 | empty |
| 5 | 63 | 0.42 | 0.81 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 1986 Ų buried · 25 hydrogen bonds · protein-protein
Compared structures
- 6NSD · TAR14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis · 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 W5VG40
- Elsewhere: RCSB PDB 6NSD · PDBe 6NSD · UniProt W5VG40
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