Research workbench
Crystal structure of the extracellular domain of the putative one component system BT4673 from B. thetaiotaomicron
Analyse Crystal structure of the extracellular domain of the putative one component… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3OTT
- Type
- protein
- Length
- 1,476 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Two-component system sensor histidine kinase
- UniProt
- Q89YQ8
- Ligands
- TBR
- Pockets
- 20 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 3% helix, 48% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Two-component system sensor histidine kinase | protein | 737 | 4% helix, 48% strand | Q89YQ8 |
| B | Two-component system sensor histidine kinase | protein | 739 | 3% helix, 48% strand | Q89YQ8 |
Ligands and binding sites
- TBR · Hexatantalum dodecabromide · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1076 | 0.80 | 0.82 | 92 | empty |
| 2 | 1158 | 0.79 | 0.81 | 87 | empty |
| 3 | 81 | 0.73 | 0.97 | 27 | empty |
| 4 | 1050 | 0.72 | 0.76 | 77 | TBR |
| 5 | 746 | 0.72 | 0.78 | 45 | empty |
Interfaces
1 interface between chains.
- A–B · 2138 Ų buried · 36 hydrogen bonds · protein-protein
Compared structures
- 3OTT · Crystal Structure of the extracellular domain of the putative one component system BT4673… · 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 Q89YQ8
- Elsewhere: RCSB PDB 3OTT · PDBe 3OTT · UniProt Q89YQ8
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