MolNFT v1 · #158388 · protein
TAR14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis
6NSD · Tryptophan halogenase: “TAR14, tryptophan C-6 flavin-dependent halogenase (chlorinase) from taromycin biosynthesis”. X-ray diffraction, 2 ligands (FAD, SO4), 10 pockets (best druggability 0.81). MolNFT v1 #158388 on GenesisL1: 3D…
- PDB
- 6NSD
- Type
- protein
- Length
- 1,001 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan halogenase
- UniProt
- W5VG40
- Ligands
- FAD, SO4
- Pockets
- 10 · 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 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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