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Crystal structure of anaerobic ergothioneine biosynthesis enzyme from Chlorobium limicola in persulfide form.
Analyse Crystal structure of anaerobic ergothioneine biosynthesis enzyme from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6H99
- Type
- protein
- Length
- 424 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.6
- Source
- Chlorobium limicola
- Molecule
- Sulfurtransferase
- UniProt
- B3ECE3
- Ligands
- MG, CL
- Pockets
- 4 · best druggability 0.52
Structure
x-ray diffraction · resolution 1.6 · 1 distinct chain · 33% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfurtransferase | protein | 424 | 33% helix, 17% strand | B3ECE3 |
Ligands and binding sites
- MG · Magnesium ion · metal · 4 copies · chains A
- CL · Chloride ion · ion · 4 copies · chains A
- EDO · 1,2-ethanediol · additive · chains A
- PEG · Di(hydroxyethyl)ether · additive · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 166 | 0.52 | 0.79 | 27 | CL |
| 2 | 69 | 0.36 | 0.77 | 13 | empty |
| 3 | 66 | 0.31 | 0.75 | 16 | empty |
| 4 | 50 | 0.26 | 0.74 | 17 | empty |
Modifications
Observed in the structure: 1 modified (oxidation).
Compared structures
- 6H99 · Crystal structure of anaerobic ergothioneine biosynthesis enzyme from chlorobium limicola… · 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 B3ECE3
- Elsewhere: RCSB PDB 6H99 · PDBe 6H99 · UniProt B3ECE3
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