Research workbench
Discovery of a potent and selective mpges-1 inhibitor for the treatment of pain
Analyse Discovery of a potent and selective mpges-1 inhibitor for the treatment of pain in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5BQI
- Type
- protein
- Length
- 148 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin E synthase
- EC
- 5.3.99.3
- UniProt
- O14684
- Ligands
- 4UL, GSH, 1KA
Structure
x-ray diffraction · 1 distinct chain · 80% helix, 1% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prostaglandin E synthase (EC 5.3.99.3) | protein | 148 | 80% helix, 1% strand | O14684 |
Ligands and binding sites
- 4UL · 2-(difluoromethyl)-5-{[(2-methylpropanoyl) amino]methyl}-N-{5-methyl-4-[4-(trifluoromethyl) phenyl]-1H-imidazol-2-yl}pyridine-3-carboxamide · ligand · chains A
- GSH · Glutathione · ligand · chains A
- 1KA · (2-hydroxyethoxy)acetaldehyde · ligand · chains A
- BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A
- PG4 · Tetraethylene glycol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- O14684 · AlphaFold monomer V2.0 prediction for prostaglandin E synthase (O14684) · a predicted model of the same protein · chain A 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 O14684
- Elsewhere: RCSB PDB 5BQI · PDBe 5BQI · UniProt O14684
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