Research workbench
F454K mutant of tryptophan 7-halogenase prna
Analyse F454K mutant of tryptophan 7-halogenase prna in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4Z44
- Type
- protein
- Length
- 516 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, PO4
- Pockets
- 5 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Flavin-dependent tryptophan halogenase prna (EC 1.14.19.9) | protein | 516 | 39% helix, 21% strand | P95480 |
Ligands and binding sites
- FAD · Flavin-adenine dinucleotide · ligand · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 427 | 0.83 | 0.90 | 56 | FAD, CL |
| 2 | 74 | 0.69 | 0.95 | 23 | PO4 |
| 3 | 239 | 0.53 | 0.76 | 30 | empty |
| 4 | 99 | 0.38 | 0.75 | 16 | empty |
| 5 | 59 | 0.37 | 0.79 | 17 | empty |
Compared structures
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 4Z44 · PDBe 4Z44 · UniProt P95480
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