Research workbench
Crystal structure of salmonella sensor kinase phoq catalytic domain in complex with radicicol
Analyse Crystal structure of salmonella sensor kinase phoq catalytic domain in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3CGY
- Type
- protein
- Length
- 378 residues
- Chains
- 3
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Virulence sensor histidine kinase phoq
- EC
- 2.7.13.3
- UniProt
- P14147
- Ligands
- RDC
- Pockets
- 4 · best druggability 0.56
Structure
x-ray diffraction · 3 distinct chains · 33% helix, 30% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Virulence sensor histidine kinase phoq (EC 2.7.13.3) | protein | 133 | 32% helix, 29% strand | P14147 |
| B | Virulence sensor histidine kinase phoq (EC 2.7.13.3) | protein | 123 | 34% helix, 27% strand | P14147 |
| C | Virulence sensor histidine kinase phoq (EC 2.7.13.3) | protein | 122 | 34% helix, 33% strand | P14147 |
Ligands and binding sites
- RDC · Radicicol · ligand · 3 copies · chains A, B, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 265 | 0.56 | 0.77 | 27 | RDC |
| 2 | 60 | 0.40 | 0.81 | 14 | RDC |
| 3 | 82 | 0.39 | 0.77 | 17 | RDC |
| 4 | 80 | 0.30 | 0.73 | 14 | empty |
Interfaces
2 interfaces between chains.
- A–B · 734 Ų buried · 10 hydrogen bonds · protein-protein
- A–C · 84 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 3CGY · Crystal Structure of Salmonella Sensor Kinase PhoQ catalytic domain in complex with… · 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 P14147
- Elsewhere: RCSB PDB 3CGY · PDBe 3CGY · UniProt P14147
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