MolNFT v1 · #164282 · protein
Taurine ABC transporter substrate binding protein taua from E. COLI in complex with 2-aminoethylphosphonic acid
6SSY · Taurine-binding periplasmic protein: “Taurine ABC transporter substrate binding protein taua from E. COLI in complex with 2-aminoethylphosphonic…”. X-ray diffraction, 2 ligands (P7I, IOD), 5 pockets (best druggability 0.75). MolNFT…
- PDB
- 6SSY
- Type
- protein
- Length
- 595 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Taurine-binding periplasmic protein
- UniProt
- Q47537
- Ligands
- P7I, IOD
- Pockets
- 5 · best druggability 0.75
Structure
x-ray diffraction · 2 distinct chains · 50% 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 | 50% helix, 20% strand | Q47537 |
Ligands and binding sites
- P7I · (2-aminoethyl)phosphonic acid · ligand · 2 copies · chains A, B
- IOD · Iodide ion · ion · 12 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 792 | 0.75 | 0.79 | 63 | IOD |
| 2 | 113 | 0.41 | 0.76 | 22 | GOL |
| 3 | 130 | 0.41 | 0.75 | 16 | GOL |
| 4 | 76 | 0.34 | 0.75 | 25 | empty |
| 5 | 68 | 0.30 | 0.74 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 601 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 6SSY · Taurine ABC transporter substrate binding protein TauA from E. coli in complex with… · the same entry in another collection · chain B against B, 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 6SSY · PDBe 6SSY · UniProt Q47537
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