MolNFT v1 · #31323 · protein
The structure of tryptophan 7-halogenase (prna) suggests a mechanism for regioselective chlorination
2ARD · Tryptophan halogenase prna: “The structure of tryptophan 7-halogenase (prna) suggests a mechanism for regioselective chlorination”. X-ray diffraction, 1 ligand (FDA), 6 pockets (best druggability 0.82). MolNFT v1 #31323 on…
- PDB
- 2ARD
- Type
- protein
- Length
- 503 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tryptophan halogenase prna
- UniProt
- P95480
- Ligands
- FDA
- Pockets
- 6 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tryptophan halogenase prna | protein | 503 | 39% helix, 20% strand | P95480 |
Ligands and binding sites
- FDA · Dihydroflavine-adenine dinucleotide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 529 | 0.82 | 0.88 | 72 | FDA |
| 2 | 152 | 0.50 | 0.78 | 24 | empty |
| 3 | 91 | 0.43 | 0.79 | 24 | empty |
| 4 | 111 | 0.41 | 0.76 | 18 | empty |
| 5 | 57 | 0.33 | 0.77 | 22 | empty |
Compared structures
- 2ARD · 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 2ARD · PDBe 2ARD · UniProt P95480
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