Research workbench
Crystal structure of staphylococcus aureus triosephosphate isomerase complexed with glycerol-2-phosphate
Analyse Crystal structure of staphylococcus aureus triosephosphate isomerase complexed… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3UWZ
- Type
- protein
- Length
- 504 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Triosephosphate isomerase
- EC
- 5.3.1.1
- UniProt
- Q6GIL6
- Ligands
- G2H, PO4
- Pockets
- 5 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 46% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Triosephosphate isomerase (EC 5.3.1.1) | protein | 254 | 45% helix, 15% strand | Q6GIL6 |
| B | Triosephosphate isomerase (EC 5.3.1.1) | protein | 250 | 46% helix, 15% strand | Q6GIL6 |
Ligands and binding sites
- G2H · 2-hydroxy-1-(hydroxymethyl)ethyl dihydrogen phosphate · ligand · 2 copies · chains A, B
- PO4 · Phosphate ion · ion · chains 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 | 64 | 0.71 | 0.97 | 26 | empty |
| 2 | 64 | 0.55 | 0.88 | 22 | empty |
| 3 | 149 | 0.50 | 0.79 | 26 | G2H |
| 4 | 120 | 0.47 | 0.79 | 24 | G2H |
| 5 | 51 | 0.25 | 0.73 | 14 | empty |
Interfaces
1 interface between chains.
- A–B · 1686 Ų buried · 23 hydrogen bonds · protein-protein
Compared structures
- 3UWZ · Crystal structure of Staphylococcus aureus triosephosphate isomerase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q6GIL6 · AlphaFold monomer V2.0 prediction for triosephosphate isomerase (Q6GIL6) · a predicted model of the same protein · chain B against A, TM-score 0.99
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 Q6GIL6
- Elsewhere: RCSB PDB 3UWZ · PDBe 3UWZ · UniProt Q6GIL6
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