MolNFT v1 · #40928 · protein
Structure of citrate-bound periplasmic domain of sensor histidine kinase cita
2J80 · Sensor kinase cita: “Structure of citrate-bound periplasmic domain of sensor histidine kinase cita”. X-ray diffraction, 2 ligands (NA, SO4), 1 pocket (best druggability 0.32). MolNFT v1 #40928 on GenesisL1: 3D structure, binding…
- PDB
- 2J80
- Type
- protein
- Length
- 253 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor kinase cita
- EC
- 2.7.13.3
- UniProt
- P52687
- Ligands
- NA, SO4
- Pockets
- 1 · best druggability 0.32
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor kinase cita (EC 2.7.13.3) | protein | 129 | 38% helix, 30% strand | P52687 |
| B | Sensor kinase cita (EC 2.7.13.3) | protein | 124 | 37% helix, 31% strand | P52687 |
Ligands and binding sites
- NA · Sodium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · chains A
- FLC · Citrate anion · additive · 2 copies · chains A, B
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 66 | 0.32 | 0.75 | 19 | NA, GOL |
Interfaces
1 interface between chains.
- A–B · 914 Ų buried · 10 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 8 modified (engineered).
Compared structures
- 2J80 · Structure of Citrate-bound Periplasmic Domain of Sensor Histidine Kinase CitA · the same entry in another collection · chain A against A, TM-score 1.00
- P52687 · AlphaFold monomer V2.0 prediction for sensor histidine kinase cita (P52687) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 P52687
- Elsewhere: RCSB PDB 2J80 · PDBe 2J80 · UniProt P52687
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