Research workbench
Electron crystallographic structure of human microsomal prostaglandin E synthase 1
Analyse Electron crystallographic structure of human microsomal prostaglandin E… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3DWW
- Type
- protein
- Length
- 426 residues
- Chains
- 3
- Method
- electron crystallography
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin E synthase
- EC
- 5.3.99.3
- UniProt
- O14684
- Ligands
- GSH
- Pockets
- 5 · best druggability 0.83
Structure
electron crystallography · 1 distinct chain · 78% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C | Prostaglandin E synthase (EC 5.3.99.3) | protein | 142 | 78% helix, 0% strand | O14684 |
Ligands and binding sites
- GSH · Glutathione · ligand · 3 copies · chains A, C, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1193 | 0.83 | 0.84 | 101 | GSH |
| 2 | 95 | 0.79 | 0.98 | 18 | empty |
| 3 | 105 | 0.40 | 0.76 | 17 | empty |
| 4 | 81 | 0.36 | 0.76 | 16 | empty |
| 5 | 70 | 0.31 | 0.74 | 16 | empty |
Interfaces
3 interfaces between chains.
- B–C · 1477 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 1388 Ų buried · 10 hydrogen bonds · protein-protein
- A–B · 1378 Ų buried · 13 hydrogen bonds · protein-protein
Compared structures
- 3DWW · Electron crystallographic structure of human microsomal prostaglandin E synthase 1 · the same entry in another collection · chain A against A, TM-score 1.00
- O14684 · AlphaFold monomer V2.0 prediction for prostaglandin E synthase (O14684) · a predicted model of the same protein · chain A against A, TM-score 0.71
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 3DWW · PDBe 3DWW · UniProt O14684
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