MolNFT v1 · #99122 · protein
Thermostabilized rebh
4LU6 · Flavin-dependent tryptophan halogenase rebh: “Thermostabilized rebh”. X-ray diffraction, 1 ligand (PO4), 8 pockets (best druggability 0.82). MolNFT v1 #99122 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4LU6
- Type
- protein
- Length
- 1,054 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavin-dependent tryptophan halogenase rebh
- EC
- 1.14.14.7
- UniProt
- Q8KHZ8
- Ligands
- PO4
- Pockets
- 8 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Flavin-dependent tryptophan halogenase rebh (EC 1.14.14.7) | protein | 527 | 39% helix, 20% strand | Q8KHZ8 |
Ligands and binding sites
- PO4 · Phosphate 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, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1032 | 0.82 | 0.83 | 118 | empty |
| 2 | 754 | 0.77 | 0.81 | 64 | PO4 |
| 3 | 716 | 0.76 | 0.81 | 73 | PO4 |
| 4 | 291 | 0.60 | 0.78 | 32 | empty |
| 5 | 262 | 0.55 | 0.77 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 1737 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
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 Q8KHZ8
- Elsewhere: RCSB PDB 4LU6 · PDBe 4LU6 · UniProt Q8KHZ8
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