Research workbench
Egtb from chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with N,N,N-trimethyl-histidine
Analyse Egtb from chloracidobacterium thermophilum, a type II sulfoxide synthase in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6QKJ
- Type
- protein
- Length
- 824 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Uncharacterized protein
- UniProt
- G2LET6
- Ligands
- AVJ, FE, CL
- Pockets
- 11 · best druggability 0.76
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Uncharacterized protein | protein | 417 | 40% helix, 12% strand | G2LET6 |
| B | Uncharacterized protein | protein | 407 | 42% helix, 13% strand | G2LET6 |
Ligands and binding sites
- AVJ · N,N,N-trimethyl-histidine · ligand · 2 copies · chains A, B
- FE · Fe (III) ion · metal · 4 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
- IMD · Imidazole · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
11 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 327 | 0.76 | 0.87 | 36 | FE, AVJ, CL |
| 2 | 337 | 0.74 | 0.86 | 34 | AVJ, CL |
| 3 | 211 | 0.46 | 0.73 | 28 | empty |
| 4 | 184 | 0.45 | 0.74 | 27 | empty |
| 5 | 52 | 0.43 | 0.84 | 20 | empty |
Interfaces
1 interface between chains.
- A–B · 1345 Ų buried · 20 hydrogen bonds · protein-protein
Compared structures
- 6QKJ · EgtB from Chloracidobacterium thermophilum, a type II sulfoxide synthase in complex with… · 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 G2LET6
- Elsewhere: RCSB PDB 6QKJ · PDBe 6QKJ · UniProt G2LET6
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