Research workbench
Taurine ABC transporter substrate binding protein TauA from E. coli in complex with N-(2-Acetamido)-2-aminoethanesulfonic acid
Analyse Taurine ABC transporter substrate binding protein TauA from E. coli in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6ST0
- Type
- protein
- Length
- 595 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.5
- Source
- Escherichia coli (strain K12)
- Molecule
- Taurine-binding periplasmic protein
- UniProt
- Q47537
- Ligands
- LUQ, IOD
- Pockets
- 6 · best druggability 0.74
Structure
x-ray diffraction · resolution 1.5 · 2 distinct chains · 49% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Taurine-binding periplasmic protein | protein | 298 | 49% helix, 19% strand | Q47537 |
| B | Taurine-binding periplasmic protein | protein | 297 | 49% helix, 20% strand | Q47537 |
Ligands and binding sites
- LUQ · N-(2-acetamido)-2-aminoethanesulfonic acid · ligand · 2 copies · chains A, B
- IOD · Iodide ion · ion · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 706 | 0.74 | 0.80 | 68 | IOD |
| 2 | 110 | 0.42 | 0.77 | 18 | empty |
| 3 | 121 | 0.38 | 0.74 | 17 | empty |
| 4 | 98 | 0.37 | 0.75 | 29 | empty |
| 5 | 74 | 0.35 | 0.76 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 603 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 6ST0 · Taurine ABC transporter substrate binding protein taua from E. COLI in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q47537 · AlphaFold monomer V2.0 prediction for taurine-binding periplasmic protein (Q47537) · a predicted model of the same protein · 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 Q47537
- Elsewhere: RCSB PDB 6ST0 · PDBe 6ST0 · UniProt Q47537
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