MolNFT v1 · #119240 · protein
Structure of the cytoplasmic pas domain of the geobacillus thermodenitrificans histidine kinase cita
5FQ1: “Structure of the cytoplasmic pas domain of the geobacillus thermodenitrificans histidine kinase cita”. X-ray diffraction, 1 ligand (PO4), 3 pockets (best druggability 0.44). MolNFT v1 #119240 on GenesisL1: 3D structure, binding…
- 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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