Research workbench
The structure of tryptophan 7-halogenase (PRNA)SUGGESTS a mechanism for regioselective chlorination
Analyse The structure of tryptophan 7-halogenase (PRNA)SUGGESTS a mechanism for… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2AR8
- Type
- protein
- Length
- 517 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan halogenase prna
- UniProt
- P95480
- Ligands
- CTE, FAD, CL
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan halogenase prna | protein | 517 | 42% helix, 21% strand | P95480 |
Ligands and binding sites
- CTE · 7-chlorotryptophan · ligand · chains A
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- CL · Chloride ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 395 | 0.82 | 0.90 | 51 | CL, FAD |
| 2 | 60 | 0.73 | 0.99 | 21 | CTE |
| 3 | 164 | 0.48 | 0.77 | 36 | empty |
| 4 | 139 | 0.44 | 0.76 | 25 | empty |
| 5 | 66 | 0.42 | 0.81 | 15 | empty |
Compared structures
- 2AR8 · The structure of tryptophan 7-halogenase (PrnA)suggests a mechanism for regioselective… · the same entry in another collection · chain A against A, TM-score 1.00
- P95480 · AlphaFold monomer V2.0 prediction for flavin-dependent tryptophan halogenase prna (P95480) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 P95480
- Elsewhere: RCSB PDB 2AR8 · PDBe 2AR8 · UniProt P95480
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