Research workbench
Crystal structure of a trap periplasmic solute binding protein from chromohalobacter salexigens dsm 3043 (CSAL_0678), target efi-501078, with bound ethanolamine
Analyse Crystal structure of a trap periplasmic solute binding protein from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4UAB
- Type
- protein
- Length
- 629 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Twin-arginine translocation pathway signal
- UniProt
- Q1QZR9
- Ligands
- ETA, CL
- Pockets
- 7 · best druggability 0.59
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Twin-arginine translocation pathway signal | protein | 315 | 53% helix, 17% strand | Q1QZR9 |
| B | Twin-arginine translocation pathway signal | protein | 314 | 52% helix, 17% strand | Q1QZR9 |
Ligands and binding sites
- ETA · Ethanolamine · ligand · 2 copies · chains A, B
- CL · Chloride ion · ion · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 315 | 0.59 | 0.78 | 34 | empty |
| 2 | 305 | 0.59 | 0.78 | 37 | empty |
| 3 | 87 | 0.58 | 0.87 | 20 | empty |
| 4 | 66 | 0.49 | 0.84 | 15 | empty |
| 5 | 132 | 0.44 | 0.76 | 30 | CL |
Interfaces
1 interface between chains.
- A–B · 2428 Ų buried · 35 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 modified (engineered).
Compared structures
- 4UAB · Crystal structure of a TRAP periplasmic solute binding protein from Chromohalobacter… · the same entry in another collection · chain B against B, 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 Q1QZR9
- Elsewhere: RCSB PDB 4UAB · PDBe 4UAB · UniProt Q1QZR9
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.