Research workbench
Structure of the cytoplasmic pas domain of the geobacillus thermodenitrificans histidine kinase cita
Analyse Structure of the cytoplasmic pas domain of the geobacillus thermodenitrificans… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5FQ1
- Type
- protein
- Length
- 220 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Histidine kinase
- EC
- 2.7.13.3
- UniProt
- A4IPE6
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.44
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Histidine kinase (EC 2.7.13.3) | protein | 110 | 32% helix, 36% strand | A4IPE6 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 3 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 171 | 0.44 | 0.74 | 33 | GOL |
| 2 | 59 | 0.39 | 0.79 | 17 | PO4 |
| 3 | 50 | 0.25 | 0.73 | 15 | GOL |
Interfaces
1 interface between chains.
- A–B · 1362 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 5FQ1 · Structure of the cytoplasmic PAS domain of the Geobacillus thermodenitrificans histidine… · 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 A4IPE6
- Elsewhere: RCSB PDB 5FQ1 · PDBe 5FQ1 · UniProt A4IPE6
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