Research workbench
Structures of the transcriptional regulator bgar, a lactose sensor.
Analyse Structures of the transcriptional regulator bgar, a lactose sensor. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6NWO
- Type
- protein
- Length
- 627 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator bgar
- UniProt
- Q8XMB9
- Ligands
- BGC, GAL, CL
- Pockets
- 9 · best druggability 0.48
Structure
x-ray diffraction · 4 distinct chains · 29% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator bgar | protein | 152 | 30% helix, 39% strand | Q8XMB9 |
| D | Transcriptional regulator bgar | protein | 165 | 25% helix, 40% strand | Q8XMB9 |
| B | Transcriptional regulator bgar | protein | 151 | 30% helix, 40% strand | Q8XMB9 |
| C | Transcriptional regulator bgar | protein | 159 | 29% helix, 40% strand | Q8XMB9 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · chains D
- GAL · beta-D-galactopyranose · sugar · chains D
- CL · Chloride ion · ion · chains C
- GOL · Glycerol · additive · chains C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 73 | 0.48 | 0.83 | 15 | BGC, GAL |
| 2 | 77 | 0.44 | 0.81 | 16 | empty |
| 3 | 90 | 0.43 | 0.79 | 18 | empty |
| 4 | 64 | 0.42 | 0.81 | 14 | empty |
| 5 | 93 | 0.41 | 0.77 | 22 | empty |
Interfaces
3 interfaces between chains.
- A–D · 1105 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 934 Ų buried · 17 hydrogen bonds · protein-protein
- A–C · 187 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 6NWO · Structures of the transcriptional regulator BgaR, a lactose sensor. · 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 Q8XMB9
- Elsewhere: RCSB PDB 6NWO · PDBe 6NWO · UniProt Q8XMB9
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