MolNFT v1 · #10839 · protein
Crystal structure of thermococcus litoralis phosphogrucose isomerase complexed with gluconate-6-phosphate
1J3R · Phosphoglucose isomerase: “Crystal structure of thermococcus litoralis phosphogrucose isomerase complexed with gluconate-6-phosphate”. X-ray diffraction, 2 ligands (6PG, FE), 3 pockets (best druggability 0.69). MolNFT v1 #10839 on…
- PDB
- 1J3R
- Type
- protein
- Length
- 372 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Phosphoglucose isomerase
- EC
- 5.3.1.9
- UniProt
- P84140
- Ligands
- 6PG, FE
- Pockets
- 3 · best druggability 0.69
Structure
x-ray diffraction · 2 distinct chains · 10% helix, 45% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Phosphoglucose isomerase (EC 5.3.1.9) | protein | 187 | 11% helix, 45% strand | P84140 |
| B | Phosphoglucose isomerase (EC 5.3.1.9) | protein | 185 | 10% helix, 45% strand | P84140 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 164 | 0.69 | 0.89 | 26 | 6PG, FE |
| 2 | 154 | 0.66 | 0.87 | 25 | 6PG |
| 3 | 67 | 0.41 | 0.80 | 21 | empty |
Interfaces
1 interface between chains.
- A–B · 2145 Ų buried · 41 hydrogen bonds · protein-protein
Compared structures
- 1J3R · Crystal structure of Thermococcus litoralis phosphogrucose isomerase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P84140 · AlphaFold monomer V2.0 prediction for glucose-6-phosphate isomerase (P84140) · 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 P84140
- Elsewhere: RCSB PDB 1J3R · PDBe 1J3R · UniProt P84140
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