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The crystal structure of R60L mutant of the histidine kinase (KinB) sensor domain from Pseudomonas aeruginosa PA01
Analyse The crystal structure of R60L mutant of the histidine kinase (KinB) sensor… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4LLE
- Type
- protein
- Length
- 466 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.68
- Source
- Pseudomonas aeruginosa
- Molecule
- Probable two-component sensor
- UniProt
- Q9HT87
- Pockets
- 4 · best druggability 0.86
Structure
x-ray diffraction · resolution 1.68 · 4 distinct chains · 87% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable two-component sensor | protein | 116 | 87% helix, 0% strand | Q9HT87 |
| B | Probable two-component sensor | protein | 119 | 85% helix, 0% strand | Q9HT87 |
| C | Probable two-component sensor | protein | 114 | 87% helix, 0% strand | Q9HT87 |
| D | Probable two-component sensor | protein | 117 | 89% helix, 0% strand | Q9HT87 |
Ligands and binding sites
- GOL · Glycerol · additive · 4 copies · chains A, B, D, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1035 | 0.86 | 0.87 | 100 | GOL |
| 2 | 118 | 0.80 | 0.98 | 21 | GOL |
| 3 | 104 | 0.77 | 0.97 | 21 | GOL |
| 4 | 59 | 0.37 | 0.79 | 12 | empty |
Interfaces
5 interfaces between chains.
- C–D · 2191 Ų buried · 4 hydrogen bonds · protein-protein
- A–B · 2132 Ų buried · 7 hydrogen bonds · protein-protein
- B–D · 825 Ų buried · 17 hydrogen bonds · protein-protein
- B–C · 419 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 45 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4LLE · The crystal structure of R60L mutant of the histidine kinase (kinb) sensor domain from… · 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 Q9HT87
- Elsewhere: RCSB PDB 4LLE · PDBe 4LLE · UniProt Q9HT87
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