Research workbench
Structure of the HPR(SER) KINASE/PHOSPHATASE from coxiella burnetii
Analyse Structure of the HPR(SER) KINASE/PHOSPHATASE from coxiella burnetii in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3TQF
- Type
- protein
- Length
- 315 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- HPR(SER) kinase
- EC
- 2.7.1.-, 3.1.3.-
- UniProt
- Q820W5
- Ligands
- PO4
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 27% helix, 42% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | HPR(SER) kinase (EC 2.7.1.-, 3.1.3.-) | protein | 165 | 28% helix, 40% strand | Q820W5 |
| B | HPR(SER) kinase (EC 2.7.1.-, 3.1.3.-) | protein | 150 | 26% helix, 44% strand | Q820W5 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 402 | 0.69 | 0.81 | 52 | PO4 |
| 2 | 98 | 0.34 | 0.74 | 15 | empty |
| 3 | 70 | 0.34 | 0.76 | 23 | PO4 |
Interfaces
1 interface between chains.
- A–B · 729 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 6 modified, 2 disulfide (engineered, disulfide).
Compared structures
- 3TQF · Structure of the Hpr(Ser) kinase/phosphatase from Coxiella burnetii · 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 Q820W5
- Elsewhere: RCSB PDB 3TQF · PDBe 3TQF · UniProt Q820W5
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