MolNFT v1 · #37770 · protein
The crystal structure of phosphoglucose isomerase from pyrococcus furiosus in complex with 5-phospho-D- arabinonohydroxamate and zinc
2GC0 · Glucose-6-phosphate isomerase: “The crystal structure of phosphoglucose isomerase from pyrococcus furiosus in complex with 5-phospho-D…”. X-ray diffraction, 2 ligands (PAN, ZN), 2 pockets (best druggability 0.66). MolNFT v1 #37770…
- PDB
- 2GC0
- Type
- protein
- Length
- 376 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
- P83194
- Ligands
- PAN, ZN
- Pockets
- 2 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 11% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Glucose-6-phosphate isomerase (EC 5.3.1.9) | protein | 188 | 11% helix, 45% strand | P83194 |
Ligands and binding sites
- PAN · 5-phospho-D-arabinohydroxamic acid · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 134 | 0.66 | 0.88 | 23 | PAN |
| 2 | 146 | 0.63 | 0.86 | 24 | PAN |
Interfaces
1 interface between chains.
- A–B · 1956 Ų buried · 28 hydrogen bonds · protein-protein
Compared structures
- 2GC0 · The crystal structure of phosphoglucose isomerase from Pyrococcus furiosus in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- P83194 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase (P83194) · 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 P83194
- Elsewhere: RCSB PDB 2GC0 · PDBe 2GC0 · UniProt P83194
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