Research workbench
Structural characterization and modeling of the borrelia burgdorferi hybrid histidine kinase HK1 periplasmic sensor
Analyse Structural characterization and modeling of the borrelia burgdorferi hybrid… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5BWJ
- Type
- protein
- Length
- 796 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensory transduction histidine kinase, putative
- UniProt
- O51381
- Ligands
- MG, NO3
- Pockets
- 12 · best druggability 0.77
Structure
x-ray diffraction · 4 distinct chains · 27% helix, 35% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensory transduction histidine kinase, putative | protein | 195 | 27% helix, 36% strand | O51381 |
| B | Sensory transduction histidine kinase, putative | protein | 196 | 26% helix, 35% strand | O51381 |
| C | Sensory transduction histidine kinase, putative | protein | 202 | 26% helix, 35% strand | O51381 |
| D | Sensory transduction histidine kinase, putative | protein | 203 | 27% helix, 33% strand | O51381 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
12 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 99 | 0.77 | 0.97 | 28 | empty |
| 2 | 111 | 0.76 | 0.96 | 29 | empty |
| 3 | 103 | 0.75 | 0.96 | 29 | empty |
| 4 | 109 | 0.74 | 0.94 | 32 | empty |
| 5 | 148 | 0.67 | 0.88 | 33 | empty |
Interfaces
4 interfaces between chains.
- C–D · 1640 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1623 Ų buried · 15 hydrogen bonds · protein-protein
- A–D · 297 Ų buried · 6 hydrogen bonds · protein-protein
- B–C · 33 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 5BWJ · Structural characterization and modeling of the Borrelia burgdorferi hybrid histidine… · 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 O51381
- Elsewhere: RCSB PDB 5BWJ · PDBe 5BWJ · UniProt O51381
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