MolNFT v1 · #152225 · protein
Mutant of flavin-dependent tryptophan halogenase thal with altered regioselectivity (thal-REBH5)
6IB5 · Tryptophan 6-halogenase: “Mutant of flavin-dependent tryptophan halogenase thal with altered regioselectivity (thal-REBH5)”. X-ray diffraction, 1 ligand (PO4), 11 pockets (best druggability 0.79). MolNFT v1 #152225 on GenesisL1: 3D…
- PDB
- 6IB5
- Type
- protein
- Length
- 1,050 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan 6-halogenase
- UniProt
- A1E280
- Ligands
- PO4
- Pockets
- 11 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 40% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan 6-halogenase | protein | 526 | 40% helix, 21% strand | A1E280 |
| B | Tryptophan 6-halogenase | protein | 524 | 40% helix, 21% strand | A1E280 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 11 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 758 | 0.79 | 0.83 | 74 | empty |
| 2 | 369 | 0.78 | 0.88 | 50 | empty |
| 3 | 816 | 0.76 | 0.80 | 66 | GOL |
| 4 | 834 | 0.76 | 0.80 | 67 | GOL |
| 5 | 761 | 0.71 | 0.78 | 62 | empty |
Interfaces
1 interface between chains.
- A–B · 2073 Ų buried · 38 hydrogen bonds · protein-protein
Compared structures
- 6IB5 · Mutant of flavin-dependent tryptophan halogenase Thal with altered regioselectivity… · 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 A1E280
- Elsewhere: RCSB PDB 6IB5 · PDBe 6IB5 · UniProt A1E280
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