MolNFT v1 · #46622 · protein
Crystal structure of rebh, a FAD-dependent halogenase from lechevalieria aerocolonigenes, the apo form
2O9Z · Tryptophan halogenase: “Crystal structure of rebh, a FAD-dependent halogenase from lechevalieria aerocolonigenes, the apo form”. X-ray diffraction, 1 ligand (PO4), 14 pockets (best druggability 0.81). MolNFT v1 #46622 on GenesisL1…
- PDB
- 2O9Z
- Type
- protein
- Length
- 1,050 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan halogenase
- UniProt
- Q8KHZ8
- Ligands
- PO4
- Pockets
- 14 · 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 | 524 | 39% helix, 21% strand | Q8KHZ8 |
| B | Tryptophan halogenase | protein | 526 | 40% helix, 21% strand | Q8KHZ8 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
14 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1164 | 0.81 | 0.82 | 118 | empty |
| 2 | 733 | 0.77 | 0.81 | 65 | empty |
| 3 | 797 | 0.76 | 0.80 | 63 | PO4 |
| 4 | 88 | 0.76 | 0.97 | 28 | empty |
| 5 | 65 | 0.51 | 0.86 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1592 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 2O9Z · Crystal Structure of RebH, a FAD-dependent halogenase from Lechevalieria aerocolonigenes… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8KHZ8 · AlphaFold monomer V2.0 prediction for flavin-dependent tryptophan halogenase rebh (Q8KHZ8) · a predicted model of the same protein · 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 Q8KHZ8
- Elsewhere: RCSB PDB 2O9Z · PDBe 2O9Z · UniProt Q8KHZ8
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