Research workbench
Structure of a glucose-6-phosphate isomerase from trypanosoma cruzi
Analyse Structure of a glucose-6-phosphate isomerase from trypanosoma cruzi in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4QFH
- Type
- protein
- Length
- 1,221 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-6-phosphate isomerase
- EC
- 5.3.1.9
- UniProt
- O61113
- Ligands
- G6P
- Pockets
- 10 · best druggability 0.86
Structure
x-ray diffraction · 2 distinct chains · 56% helix, 12% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Glucose-6-phosphate isomerase (EC 5.3.1.9) | protein | 610 | 55% helix, 12% strand | O61113 |
| B | Glucose-6-phosphate isomerase (EC 5.3.1.9) | protein | 611 | 56% helix, 12% strand | O61113 |
Ligands and binding sites
- G6P · 6-O-phosphono-alpha-D-glucopyranose · sugar · 2 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, 7 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.86 | 0.91 | 81 | empty |
| 2 | 1077 | 0.81 | 0.82 | 73 | empty |
| 3 | 273 | 0.69 | 0.84 | 36 | G6P |
| 4 | 55 | 0.68 | 0.96 | 18 | empty |
| 5 | 281 | 0.68 | 0.83 | 39 | G6P |
Interfaces
1 interface between chains.
- A–B · 7830 Ų buried · 99 hydrogen bonds · protein-protein
Compared structures
- 4QFH · Structure of a glucose-6-phosphate isomerase from Trypanosoma cruzi · 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 O61113
- Elsewhere: RCSB PDB 4QFH · PDBe 4QFH · UniProt O61113
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