MolNFT v1 · #74339 · protein
Crystal structure of the extracellular domain of the putative one component system BT4673 from B. thetaiotaomicron
3OTT · Two-component system sensor histidine kinase: “Crystal structure of the extracellular domain of the putative one component system BT4673 from B.…”. X-ray diffraction, 1 ligand (TBR), 20 pockets (best druggability 0.80). MolNFT v1…
- 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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