Research workbench
Deciphering cis-trans directionality and visualizing autophosphorylation in histidine kinases.
Analyse Deciphering cis-trans directionality and visualizing autophosphorylation in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4KP4
- Type
- protein
- Length
- 436 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Osmolarity sensor protein envz, histidine kinase
- EC
- 2.7.13.3
- UniProt
- P0AEJ4, Q9WZV7
- Ligands
- ANP, MG, SO4
- Pockets
- 2 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Osmolarity sensor protein envz, histidine kinase (EC 2.7.13.3) | protein | 219 | 52% helix, 19% strand | P0AEJ4, Q9WZV7 |
| B | Osmolarity sensor protein envz, histidine kinase (EC 2.7.13.3) | protein | 217 | 49% helix, 21% strand | P0AEJ4, Q9WZV7 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · 3 copies · chains A, B
- PEG · Di(hydroxyethyl)ether · 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1152 | 0.75 | 0.78 | 110 | ANP, MG, SO4 |
| 2 | 88 | 0.40 | 0.78 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1883 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4KP4 · Deciphering cis-trans directionality and visualizing autophosphorylation in histidine… · the same entry in another collection · chain A against A, TM-score 1.00
- P0AEJ4 · AlphaFold monomer V2.0 prediction for sensor histidine kinase envz (P0AEJ4) · a predicted model of the same protein · chain B against A, TM-score 0.77
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 P0AEJ4
- Every structure of UniProt Q9WZV7
- Elsewhere: RCSB PDB 4KP4 · PDBe 4KP4 · UniProt P0AEJ4 · UniProt Q9WZV7
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