Research workbench
Crystal structure of putative putative tagatose-6-phosphate KETOSE/ALDOSE isomerase (NP_344614.1) from streptococcus pneumoniae TIGR4 at 1.70 a resolution
Analyse Crystal structure of putative putative tagatose-6-phosphate KETOSE/ALDOSE… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3I0Z
- Type
- protein
- Length
- 776 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative tagatose-6-phosphate KETOSE/ALDOSE isomerase
- UniProt
- Q97T85
- Ligands
- PO4, CL
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Putative tagatose-6-phosphate KETOSE/ALDOSE isomerase | protein | 388 | 50% helix, 15% strand | Q97T85 |
Ligands and binding sites
- PO4 · Phosphate ion · ion · 2 copies · chains A, B
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 14 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 826 | 0.86 | 0.89 | 79 | empty |
| 2 | 86 | 0.74 | 0.97 | 26 | PO4, EDO |
| 3 | 80 | 0.73 | 0.97 | 26 | PO4 |
| 4 | 63 | 0.70 | 0.96 | 21 | empty |
| 5 | 111 | 0.48 | 0.80 | 20 | EDO |
Interfaces
1 interface between chains.
- A–B · 3129 Ų buried · 39 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 3I0Z · Crystal structure of putative putative tagatose-6-phosphate ketose/aldose isomerase… · 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 Q97T85
- Elsewhere: RCSB PDB 3I0Z · PDBe 3I0Z · UniProt Q97T85
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