MolNFT v1 · #23406 · protein
Crystal structure of PHOSPHOGLUCOSE/PHOSPHOMANNOSE isomerase from pyrobaculum aerophilum in complex with 5-phosphoarabinonate
1TZC · Glucose-6-phosphate isomerase, conjectural: “Crystal structure of PHOSPHOGLUCOSE/PHOSPHOMANNOSE isomerase from pyrobaculum aerophilum in complex with…”. X-ray diffraction, 2 ligands (PA5, SO4), 7 pockets (best druggability 0.86).…
- PDB
- 1TZC
- Type
- protein
- Length
- 602 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Glucose-6-phosphate isomerase, conjectural
- EC
- 5.3.1.9, 5.3.1.8
- UniProt
- Q8ZWV0
- Ligands
- PA5, SO4
- Pockets
- 7 · best druggability 0.86
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose-6-phosphate isomerase, conjectural (EC 5.3.1.9, 5.3.1.8) | protein | 301 | 48% helix, 17% strand | Q8ZWV0 |
Ligands and binding sites
- PA5 · 5-phosphoarabinonic acid · ligand · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 5 copies · chains A, B
- GOL · Glycerol · additive · 2 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, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 610 | 0.86 | 0.91 | 59 | empty |
| 2 | 122 | 0.53 | 0.82 | 28 | PA5 |
| 3 | 81 | 0.52 | 0.85 | 20 | PA5 |
| 4 | 82 | 0.35 | 0.76 | 21 | GOL |
| 5 | 59 | 0.34 | 0.77 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 3284 Ų buried · 82 hydrogen bonds · protein-protein
Compared structures
- 1TZC · Crystal structure of phosphoglucose/phosphomannose isomerase from Pyrobaculum aerophilum… · the same entry in another collection · chain A against A, TM-score 1.00
- Q8ZWV0 · AlphaFold monomer V2.0 prediction for bifunctional PHOSPHOGLUCOSE/PHOSPHOMANNOSE… · a predicted model of the same protein · chain A 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 Q8ZWV0
- Elsewhere: RCSB PDB 1TZC · PDBe 1TZC · UniProt Q8ZWV0
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