MolNFT v1 · #171219 · protein
Structure of chloroflexus aggregans flavin based fluorescent protein (cagfbfp) Q148K variant (space group P21)
6YXB · Multi-sensor hybrid histidine kinase: “Structure of chloroflexus aggregans flavin based fluorescent protein (cagfbfp) Q148K variant (space group P21)”. X-ray diffraction, 2 ligands (FMN, SO4), 6 pockets (best druggability 0.76).…
- PDB
- 6YXB
- Type
- protein
- Length
- 416 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Multi-sensor hybrid histidine kinase
- UniProt
- B8GAY9
- Ligands
- FMN, SO4
- Pockets
- 6 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 37% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Multi-sensor hybrid histidine kinase | protein | 104 | 27% helix, 37% strand | B8GAY9 |
Ligands and binding sites
- FMN · Flavin mononucleotide · ligand · 4 copies · chains A, B, C, D
- SO4 · Sulfate ion · ion · 5 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 193 | 0.76 | 0.91 | 31 | FMN |
| 2 | 1045 | 0.73 | 0.76 | 60 | empty |
| 3 | 170 | 0.72 | 0.90 | 22 | FMN |
| 4 | 166 | 0.72 | 0.90 | 22 | FMN |
| 5 | 182 | 0.71 | 0.89 | 24 | FMN |
Interfaces
3 interfaces between chains.
- C–D · 774 Ų buried · 8 hydrogen bonds · protein-protein
- A–B · 773 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 269 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6YXB · Structure of Chloroflexus aggregans flavin based fluorescent protein (CagFbFP) Q148K… · 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 B8GAY9
- Elsewhere: RCSB PDB 6YXB · PDBe 6YXB · UniProt B8GAY9
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