MolNFT v1 · #98828 · protein
The crystal structure of R60E mutant of the histidine kinase (kinb) sensor domain from pseudomonas aeruginosa PA01
4LLC · Probable two-component sensor: “The crystal structure of R60E mutant of the histidine kinase (kinb) sensor domain from pseudomonas aeruginosa…”. X-ray diffraction, 2 pockets (best druggability 0.73). MolNFT v1 #98828 on GenesisL1…
- PDB
- 4LLC
- Type
- protein
- Length
- 244 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Probable two-component sensor
- UniProt
- Q9HT87
- Pockets
- 2 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 79% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Probable two-component sensor | protein | 124 | 78% helix, 0% strand | Q9HT87 |
| B | Probable two-component sensor | protein | 120 | 80% helix, 0% strand | Q9HT87 |
Ligands and binding sites
- TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 3 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · additive · 2 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 380 | 0.73 | 0.84 | 37 | TRS |
| 2 | 72 | 0.59 | 0.89 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 1040 Ų buried · 21 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified (engineered).
Compared structures
- 4LLC · The crystal structure of R60E 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 4LLC · PDBe 4LLC · UniProt Q9HT87
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