MolNFT v1 · #77771 · protein
Crystal structure of ABC sugar transporter (periplasmic sugar binding protein) from legionella pneumophila
3ROT · ABC sugar transporter, periplasmic sugar binding protein: “Crystal structure of ABC sugar transporter (periplasmic sugar binding protein) from legionella pneumophila”. X-ray diffraction, 8 pockets (best druggability 0.79). MolNFT v1…
- PDB
- 3ROT
- Type
- protein
- Length
- 545 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ABC sugar transporter, periplasmic sugar binding protein
- UniProt
- Q5ZZ27
- Pockets
- 8 · best druggability 0.79
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ABC sugar transporter, periplasmic sugar binding protein | protein | 273 | 47% helix, 17% strand | Q5ZZ27 |
| B | ABC sugar transporter, periplasmic sugar binding protein | protein | 272 | 46% helix, 17% strand | Q5ZZ27 |
Ligands and binding sites
- GOL · Glycerol · additive · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 428 | 0.79 | 0.88 | 46 | empty |
| 2 | 58 | 0.70 | 0.97 | 18 | GOL |
| 3 | 113 | 0.53 | 0.82 | 23 | empty |
| 4 | 96 | 0.49 | 0.82 | 22 | empty |
| 5 | 62 | 0.34 | 0.77 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1239 Ų buried · 14 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 9 modified (engineered).
Compared structures
- 3ROT · Crystal structure of ABC sugar transporter (periplasmic sugar binding protein) from… · 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 Q5ZZ27
- Elsewhere: RCSB PDB 3ROT · PDBe 3ROT · UniProt Q5ZZ27
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