Research workbench
Crystal structure of a tetr transcriptional regulator (CAUR_2221) from chloroflexus aurantiacus J-10-fl at 1.80 a resolution
Analyse Crystal structure of a tetr transcriptional regulator (CAUR_2221) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3QBM
- Type
- protein
- Length
- 397 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Tetr transcriptional regulator
- UniProt
- A9WFT0
- Ligands
- MG
- Pockets
- 4 · best druggability 0.68
Structure
x-ray diffraction · 2 distinct chains · 75% helix, 2% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Tetr transcriptional regulator | protein | 199 | 76% helix, 2% strand | A9WFT0 |
| B | Tetr transcriptional regulator | protein | 198 | 74% helix, 2% strand | A9WFT0 |
Ligands and binding sites
- MG · Magnesium ion · metal · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 8 copies · chains A, B
- PGE · Triethylene glycol · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 76 | 0.68 | 0.94 | 26 | empty |
| 2 | 213 | 0.55 | 0.78 | 30 | PEG |
| 3 | 76 | 0.37 | 0.77 | 17 | PEG, PGE |
| 4 | 69 | 0.33 | 0.75 | 14 | PEG |
Interfaces
1 interface between chains.
- A–B · 1931 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3QBM · Crystal structure of a TetR transcriptional regulator (Caur_2221) from CHLOROFLEXUS… · 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 A9WFT0
- Elsewhere: RCSB PDB 3QBM · PDBe 3QBM · UniProt A9WFT0
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.