Research workbench
Crystal structure of a putative phosphosugar isomerase (CD3275) from clostridium difficile 630 at 1.80 a resolution
Analyse Crystal structure of a putative phosphosugar isomerase (CD3275) from… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3G68
- Type
- protein
- Length
- 696 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative phosphosugar isomerase
- UniProt
- Q180C0
- Pockets
- 5 · best druggability 0.47
Structure
x-ray diffraction · 2 distinct chains · 51% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative phosphosugar isomerase | protein | 345 | 52% helix, 14% strand | Q180C0 |
| B | Putative phosphosugar isomerase | protein | 351 | 50% helix, 15% strand | Q180C0 |
Ligands and binding sites
- EDO · 1,2-ethanediol · additive · 6 copies · chains A, B
- CIT · Citric acid · additive · 2 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 200 | 0.47 | 0.75 | 32 | CIT |
| 2 | 172 | 0.46 | 0.76 | 28 | empty |
| 3 | 150 | 0.46 | 0.76 | 22 | EDO |
| 4 | 108 | 0.40 | 0.76 | 22 | CIT |
| 5 | 64 | 0.34 | 0.78 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 851 Ų buried · 12 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 22 modified (engineered).
Compared structures
- 3G68 · Crystal structure of a putative phosphosugar isomerase (CD3275) from clostridium… · 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 Q180C0
- Elsewhere: RCSB PDB 3G68 · PDBe 3G68 · UniProt Q180C0
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