MolNFT v1 · #158538 · protein
Structures of the transcriptional regulator bgar, a lactose sensor.
6NX3: “Structures of the transcriptional regulator bgar, a lactose sensor.”. X-ray diffraction, 2 ligands (BGC, GAL), 8 pockets (best druggability 0.83). MolNFT v1 #158538 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6NX3
- Type
- protein
- Length
- 951 residues
- Chains
- 6
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Transcriptional regulator bgar
- UniProt
- Q8XMB9
- Ligands
- BGC, GAL
- Pockets
- 8 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 29% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Transcriptional regulator bgar | protein | 158 | 29% helix, 40% strand | Q8XMB9 |
| D, E, F | Transcriptional regulator bgar | protein | 159 | 29% helix, 40% strand | Q8XMB9 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 6 copies · chains A, C, B, D, E, F
- GAL · beta-D-galactopyranose · sugar · 6 copies · chains A, B, C, D, E, F
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 765 | 0.83 | 0.86 | 82 | empty |
| 2 | 558 | 0.76 | 0.83 | 60 | BGC, GAL |
| 3 | 889 | 0.76 | 0.79 | 81 | BGC, GAL |
| 4 | 90 | 0.46 | 0.80 | 17 | BGC, GAL |
| 5 | 71 | 0.46 | 0.81 | 14 | BGC, GAL |
Interfaces
10 interfaces between chains.
- A–D · 952 Ų buried · 17 hydrogen bonds · protein-protein
- C–E · 946 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 473 Ų buried · 4 hydrogen bonds · protein-protein
- C–F · 417 Ų buried · 0 hydrogen bonds · protein-protein
- B–D · 383 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6NX3 · 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 6NX3 · PDBe 6NX3 · UniProt Q8XMB9
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