Research workbench
Crystal structure of prox from archeoglobus fulgidus in complex with proline betaine
Analyse Crystal structure of prox from archeoglobus fulgidus in complex with proline… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1SW1
- Type
- protein
- Length
- 540 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Osmoprotection protein (prox)
- UniProt
- O29280
- Ligands
- PBE, ZN
- Pockets
- 5 · best druggability 0.69
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Osmoprotection protein (prox) | protein | 270 | 44% helix, 19% strand | O29280 |
Ligands and binding sites
- PBE · 1,1-dimethyl-prolinium · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 6 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 58 | 0.69 | 0.96 | 20 | PBE |
| 2 | 56 | 0.69 | 0.96 | 19 | PBE |
| 3 | 387 | 0.59 | 0.76 | 51 | empty |
| 4 | 248 | 0.54 | 0.77 | 26 | empty |
| 5 | 59 | 0.29 | 0.75 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 454 Ų buried · 16 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 1SW1 · Crystal structure of ProX from Archeoglobus fulgidus in complex with proline betaine · 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 O29280
- Elsewhere: RCSB PDB 1SW1 · PDBe 1SW1 · UniProt O29280
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