Research workbench
Crystal structure of histidine kinase thka (TM1359) in complex with response regulator protein trra (TM1360)
Analyse Crystal structure of histidine kinase thka (TM1359) in complex with response… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3A0R
- Type
- protein
- Length
- 450 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Sensor protein; Response regulator
- EC
- 2.7.13.3
- UniProt
- Q9X180, Q9X181
- Ligands
- HG
- Pockets
- 9 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Sensor protein (EC 2.7.13.3) | protein | 334 | 38% helix, 22% strand | Q9X180 |
| B | Response regulator | protein | 116 | 39% helix, 16% strand | Q9X181 |
Ligands and binding sites
- HG · Mercury (II) ion · metal · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
9 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 646 | 0.71 | 0.78 | 68 | HG |
| 2 | 253 | 0.64 | 0.82 | 31 | empty |
| 3 | 234 | 0.59 | 0.80 | 26 | empty |
| 4 | 195 | 0.55 | 0.79 | 33 | empty |
| 5 | 62 | 0.54 | 0.88 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 866 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 3 modified (engineered).
Compared structures
- 3A0R · Crystal structure of histidine kinase ThkA (TM1359) in complex with response regulator… · 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 Q9X180
- Every structure of UniProt Q9X181
- Elsewhere: RCSB PDB 3A0R · PDBe 3A0R · UniProt Q9X180 · UniProt Q9X181
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