MolNFT v1 · #27098 · protein
Crystal structure of PHOSPHOGLUCOSE/PHOSPHOMANNOSE isomerase from pyrobaculum aerophilum in complex with fructose 6-phosphate
1X9H · Glucose-6-phosphate isomerase: “Crystal structure of PHOSPHOGLUCOSE/PHOSPHOMANNOSE isomerase from pyrobaculum aerophilum in complex with…”. X-ray diffraction, 2 ligands (F6R, SO4), 7 pockets (best druggability 0.86). MolNFT v1…
- PDB
- 1X9H
- Type
- protein
- Length
- 602 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, 5.3.1.8
- Ligands
- F6R, SO4
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose-6-phosphate isomerase (EC 5.3.1.9, 5.3.1.8) | protein | 301 | 47% helix, 17% strand | — |
Ligands and binding sites
- F6R · Fructose -6-phosphate · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · 4 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 613 | 0.86 | 0.91 | 55 | GOL |
| 2 | 158 | 0.55 | 0.81 | 30 | F6R, GOL |
| 3 | 95 | 0.49 | 0.82 | 19 | F6R |
| 4 | 116 | 0.40 | 0.76 | 23 | empty |
| 5 | 71 | 0.33 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 3224 Ų buried · 80 hydrogen bonds · protein-protein
Compared structures
- 1X9H · Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum… · 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
- Elsewhere: RCSB PDB 1X9H · PDBe 1X9H
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