MolNFT v1 · #63796 · protein
Crystal structure of a putative phosphosugar isomerase (STM_0572) from salmonella typhimurium LT2 at 2.12 a resolution
3FKJ · Putative phosphosugar isomerases: “Crystal structure of a putative phosphosugar isomerase (STM_0572) from salmonella typhimurium LT2 at 2.12 a…”. X-ray diffraction, 1 ligand (SCN), 5 pockets (best druggability 0.88). MolNFT v1…
- PDB
- 3FKJ
- Type
- protein
- Length
- 659 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative phosphosugar isomerases
- UniProt
- Q8ZR50
- Ligands
- SCN
- Pockets
- 5 · best druggability 0.88
Structure
x-ray diffraction · 2 distinct chains · 52% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative phosphosugar isomerases | protein | 335 | 50% helix, 16% strand | Q8ZR50 |
| B | Putative phosphosugar isomerases | protein | 324 | 53% helix, 16% strand | Q8ZR50 |
Ligands and binding sites
- SCN · Thiocyanate ion · ion · 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 824 | 0.88 | 0.91 | 76 | empty |
| 2 | 643 | 0.79 | 0.84 | 61 | SCN |
| 3 | 695 | 0.76 | 0.81 | 60 | SCN |
| 4 | 76 | 0.34 | 0.75 | 23 | empty |
| 5 | 54 | 0.27 | 0.74 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 2890 Ų buried · 53 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3FKJ · Crystal structure of a putative phosphosugar isomerase (stm_0572) from salmonella… · 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 Q8ZR50
- Elsewhere: RCSB PDB 3FKJ · PDBe 3FKJ · UniProt Q8ZR50
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