MolNFT v1 · #139298 · protein
The structure of brlr-C domain bound to 3-amino-2-PHENAZINO(A pyocyanin analog)
5XBI · Probable transcriptional regulator: “The structure of brlr-C domain bound to 3-amino-2-PHENAZINO(A pyocyanin analog)”. X-ray diffraction, 1 ligand (81U), 4 pockets (best druggability 0.73). MolNFT v1 #139298 on GenesisL1: 3D…
- PDB
- 5XBI
- Type
- protein
- Length
- 296 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable transcriptional regulator
- UniProt
- Q9HUT5
- Ligands
- 81U
- Pockets
- 4 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 20% helix, 40% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable transcriptional regulator | protein | 148 | 20% helix, 40% strand | Q9HUT5 |
| B | Probable transcriptional regulator | protein | 148 | 20% helix, 39% strand | Q9HUT5 |
Ligands and binding sites
- 81U · 3-azanylphenazin-2-ol · ligand · 2 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A, B
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 | 597 | 0.73 | 0.80 | 71 | 81U, PEG |
| 2 | 172 | 0.51 | 0.78 | 28 | empty |
| 3 | 99 | 0.42 | 0.78 | 20 | empty |
| 4 | 99 | 0.42 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1096 Ų buried · 16 hydrogen bonds · protein-protein
Compared structures
- 5XBI · The structure of BrlR-C domain bound to 3-amino-2-phenazino(a pyocyanin analog) · 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 Q9HUT5
- Elsewhere: RCSB PDB 5XBI · PDBe 5XBI · UniProt Q9HUT5
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