Research workbench
Crystal structure of tryptophan 7-halogenase (prna) mutant E450K
Analyse Crystal structure of tryptophan 7-halogenase (prna) mutant E450K in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Z43
- Type
- protein
- Length
- 505 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Flavin-dependent tryptophan halogenase prna
- EC
- 1.14.19.9
- UniProt
- P95480
- Ligands
- FAD, SO4, CL
- Pockets
- 7 · best druggability 0.82
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavin-dependent tryptophan halogenase prna (EC 1.14.19.9) | protein | 505 | 39% helix, 20% strand | P95480 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 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 | 427 | 0.82 | 0.90 | 60 | FAD, CL |
| 2 | 246 | 0.59 | 0.79 | 33 | empty |
| 3 | 77 | 0.36 | 0.76 | 18 | empty |
| 4 | 56 | 0.32 | 0.77 | 20 | empty |
| 5 | 54 | 0.31 | 0.77 | 14 | empty |
Compared structures
- 4Z43 · Crystal structure of Tryptophan 7-halogenase (PrnA) Mutant E450K · 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 4Z43 · PDBe 4Z43 · UniProt P95480
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