Research workbench
Crystal structure of cpxahdc (hemiphosphorylated form)
Analyse Crystal structure of cpxahdc (hemiphosphorylated form) in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5LFK
- Type
- protein
- Length
- 479 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor histidine kinase cpxa
- EC
- 2.7.13.3
- UniProt
- P0AE82
- Ligands
- ATP, MG, SO4
- Pockets
- 4 · best druggability 0.78
Structure
x-ray diffraction · 2 distinct chains · 53% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor histidine kinase cpxa (EC 2.7.13.3) | protein | 243 | 55% helix, 17% strand | P0AE82 |
| B | Sensor histidine kinase cpxa (EC 2.7.13.3) | protein | 236 | 51% helix, 16% strand | P0AE82 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 6 copies · chains A, 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 508 | 0.78 | 0.85 | 68 | ATP, MG |
| 2 | 327 | 0.73 | 0.86 | 38 | ATP, MG |
| 3 | 675 | 0.73 | 0.79 | 49 | empty |
| 4 | 175 | 0.47 | 0.76 | 22 | empty |
Interfaces
1 interface between chains.
- A–B · 3030 Ų buried · 20 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 1 modified (phosphorylation).
Compared structures
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 P0AE82
- Elsewhere: RCSB PDB 5LFK · PDBe 5LFK · UniProt P0AE82
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