Research workbench
The complex structure of EanB/C412S with hercynine
Analyse The complex structure of EanB/C412S with hercynine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6KTZ
- Type
- protein
- Length
- 430 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 2
- Source
- Chlorobium limicola
- Molecule
- Sulfurtransferase
- UniProt
- B3ECE3
- Ligands
- AVJ, MG, CL, BR
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · resolution 2 · 1 distinct chain · 33% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sulfurtransferase | protein | 430 | 33% helix, 17% strand | B3ECE3 |
Ligands and binding sites
- AVJ · N,N,N-trimethyl-histidine · ligand · chains A
- MG · Magnesium ion · metal · 3 copies · chains A
- CL · Chloride ion · ion · chains A
- BR · Bromide ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- EDO · 1,2-ethanediol · additive · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 75 | 0.67 | 0.93 | 18 | AVJ |
| 2 | 139 | 0.53 | 0.81 | 25 | BR |
| 3 | 143 | 0.50 | 0.79 | 24 | EDO |
| 4 | 63 | 0.35 | 0.78 | 15 | empty |
| 5 | 77 | 0.32 | 0.74 | 20 | MG |
Modifications
Observed in the structure: 1 modified (nonstandard).
Compared structures
- 6KTZ · The complex structure of EANB/C412S with hercynine · 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 6KTZ · PDBe 6KTZ · UniProt B3ECE3
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