MolNFT v1 · #121524 · protein
Crystal structure of a tryptophan 6-halogenase (stth) from streptomyces toxytricini
5HY5: “Crystal structure of a tryptophan 6-halogenase (stth) from streptomyces toxytricini”. X-ray diffraction, 2 ligands (FAD, CL), 8 pockets (best druggability 0.81). MolNFT v1 #121524 on GenesisL1: 3D structure, binding sites and…
- PDB
- 5HY5
- Type
- protein
- Length
- 1,001 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan 6-halogenase
- UniProt
- E9P162
- Ligands
- FAD, CL
- Pockets
- 8 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 22% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan 6-halogenase | protein | 511 | 38% helix, 21% strand | E9P162 |
| B | Tryptophan 6-halogenase | protein | 490 | 39% helix, 22% strand | E9P162 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 963 | 0.81 | 0.83 | 119 | empty |
| 2 | 422 | 0.79 | 0.87 | 54 | FAD, CL |
| 3 | 431 | 0.79 | 0.87 | 60 | FAD, CL |
| 4 | 226 | 0.54 | 0.77 | 28 | empty |
| 5 | 114 | 0.45 | 0.78 | 23 | empty |
Interfaces
1 interface between chains.
- A–B · 1584 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 5HY5 · Crystal Structure of a Tryptophan 6-halogenase (SttH) from Streptomyces toxytricini · the same entry in another collection · chain B against B, 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 E9P162
- Elsewhere: RCSB PDB 5HY5 · PDBe 5HY5 · UniProt E9P162
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