Research workbench
Crystal structure of the gaf domain of a putative sensor histidine kinase from pseudomonas syringae pv. tomato
Analyse Crystal structure of the gaf domain of a putative sensor histidine kinase from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CIT
- Type
- protein
- Length
- 305 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor histidine kinase
- UniProt
- Q884G2
- Ligands
- SO4
- Pockets
- 4 · best druggability 0.57
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor histidine kinase | protein | 155 | 46% helix, 21% strand | Q884G2 |
| B | Sensor histidine kinase | protein | 150 | 46% helix, 20% strand | Q884G2 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 4 copies · chains A, B
- GOL · Glycerol · additive · 6 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains A, B
- BME · Beta-mercaptoethanol · additive · chains 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 244 | 0.57 | 0.78 | 32 | empty |
| 2 | 76 | 0.41 | 0.79 | 19 | empty |
| 3 | 59 | 0.37 | 0.78 | 13 | GOL |
| 4 | 58 | 0.32 | 0.76 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1428 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 modified, 1 covalent (engineered, additive adduct).
Compared structures
- 3CIT · Crystal structure of the GAF domain of a putative sensor histidine kinase 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 Q884G2
- Elsewhere: RCSB PDB 3CIT · PDBe 3CIT · UniProt Q884G2
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