MolNFT v1 · #92176 · protein
Crystal structure of prostaglandin F synthase from trypanosoma cruzi
4FZI: “Crystal structure of prostaglandin F synthase from trypanosoma cruzi”. X-ray diffraction, 2 ligands (GLU, SO4), 6 pockets (best druggability 0.63). MolNFT v1 #92176 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 4FZI
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin F synthase
- EC
- 1.1.1.188
- UniProt
- Q4DJ07
- Ligands
- GLU, SO4
- Pockets
- 6 · best druggability 0.63
Structure
x-ray diffraction · 2 distinct chains · 43% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prostaglandin F synthase (EC 1.1.1.188) | protein | 277 | 43% helix, 17% strand | Q4DJ07 |
| B | Prostaglandin F synthase (EC 1.1.1.188) | protein | 271 | 43% helix, 17% strand | Q4DJ07 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
6 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 121 | 0.63 | 0.87 | 31 | empty |
| 2 | 252 | 0.61 | 0.80 | 41 | empty |
| 3 | 77 | 0.47 | 0.82 | 22 | GLU |
| 4 | 176 | 0.44 | 0.75 | 27 | empty |
| 5 | 78 | 0.41 | 0.78 | 15 | GLU |
Interfaces
1 interface between chains.
- A–B · 427 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4FZI · Crystal structure of prostaglandin F synthase from Trypanosoma cruzi · the same entry in another collection · chain A against A, TM-score 1.00
- Q4DJ07 · AlphaFold monomer V2.0 prediction for 9,11-endoperoxide prostaglandin H2 reductase… · a predicted model of the same protein · chain B against A, TM-score 1.00
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 Q4DJ07
- Elsewhere: RCSB PDB 4FZI · PDBe 4FZI · UniProt Q4DJ07
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