Research workbench
The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from candida albicans
Analyse The crystal structure of isomerase domain of glucosamine-6-phosphate synthase… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2PUW
- Type
- protein
- Length
- 671 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Isomerase domain of glutamine-fructose-6-phosphate transaminase (isomerizing)
- EC
- 2.6.1.16
- UniProt
- P53704
- Ligands
- BG6, CL
- Pockets
- 5 · best druggability 0.85
Structure
x-ray diffraction · 2 distinct chains · 50% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Isomerase domain of glutamine-fructose-6-phosphate transaminase (isomerizing) (EC 2.6.1.16) | protein | 340 | 50% helix, 16% strand | P53704 |
| B | Isomerase domain of glutamine-fructose-6-phosphate transaminase (isomerizing) (EC 2.6.1.16) | protein | 331 | 51% helix, 15% strand | P53704 |
Ligands and binding sites
- BG6 · 6-O-phosphono-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- CL · Chloride 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 | 1191 | 0.85 | 0.85 | 106 | empty |
| 2 | 71 | 0.69 | 0.95 | 32 | empty |
| 3 | 65 | 0.50 | 0.85 | 18 | empty |
| 4 | 62 | 0.46 | 0.83 | 22 | empty |
| 5 | 83 | 0.36 | 0.76 | 19 | BG6 |
Interfaces
1 interface between chains.
- A–B · 1329 Ų buried · 11 hydrogen bonds · protein-protein
Compared structures
- 2PUW · The crystal structure of isomerase domain of glucosamine-6-phosphate synthase from… · the same entry in another collection · chain A against A, TM-score 1.00
- P53704 · AlphaFold monomer V2.0 prediction for glutamine--fructose-6-phosphate aminotransferase… · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P53704
- Elsewhere: RCSB PDB 2PUW · PDBe 2PUW · UniProt P53704
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