Research workbench
Structure of the histidine kinase chea ATP-binding domain in complex with adpnp and magensium
Analyse Structure of the histidine kinase chea ATP-binding domain in complex with adpnp… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1I59
- Type
- protein
- Length
- 368 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Chemotaxis protein chea
- EC
- 2.7.3.-
- UniProt
- Q56310
- Ligands
- ANP, ADP, MG
- Pockets
- 5 · best druggability 0.67
Structure
x-ray diffraction · 2 distinct chains · 42% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Chemotaxis protein chea (EC 2.7.3.-) | protein | 180 | 43% helix, 26% strand | Q56310 |
| B | Chemotaxis protein chea (EC 2.7.3.-) | protein | 188 | 40% helix, 26% strand | Q56310 |
Ligands and binding sites
- ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
- ADP · Adenosine-5'-diphosphate · ligand · chains B
- MG · Magnesium ion · metal · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 286 | 0.67 | 0.82 | 31 | ACT, MG, ANP |
| 2 | 309 | 0.67 | 0.82 | 29 | ADP |
| 3 | 165 | 0.48 | 0.77 | 21 | empty |
| 4 | 96 | 0.34 | 0.73 | 24 | empty |
| 5 | 51 | 0.30 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 435 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
- 1I59 · Structure of the histidine kinase chea ATP-binding domain in complex with adpnp and… · the same entry in another collection · chain A against A, TM-score 1.00
- Q56310 · AlphaFold monomer V2.0 prediction for chemotaxis protein chea (Q56310) · a predicted model of the same protein · chain A against A, TM-score 0.96
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 Q56310
- Elsewhere: RCSB PDB 1I59 · PDBe 1I59 · UniProt Q56310
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