MolNFT v1 · #158518 · protein
Structures of the transcriptional regulator bgar, a lactose sensor.
6NWH: “Structures of the transcriptional regulator bgar, a lactose sensor.”. X-ray diffraction, 4 ligands (BGC, GAL, HG), 2 pockets (best druggability 0.48). MolNFT v1 #158518 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NWH
- Type
- protein
- Length
- 325 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator bgar
- UniProt
- Q8XMB9
- Ligands
- BGC, GAL, HG, CL
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Transcriptional regulator bgar | protein | 162 | 28% helix, 41% strand | Q8XMB9 |
| B | Transcriptional regulator bgar | protein | 163 | 26% helix, 39% strand | Q8XMB9 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A, B
- GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
- HG · Mercury (II) ion · metal · 9 copies · chains A, B
- CL · Chloride ion · ion · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 72 | 0.48 | 0.83 | 16 | BGC, GAL |
| 2 | 72 | 0.43 | 0.80 | 15 | BGC, GAL |
Interfaces
1 interface between chains.
- A–B · 1017 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 6NWH · 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 6NWH · PDBe 6NWH · UniProt Q8XMB9
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