MolNFT v1 · #91126 · protein
X-ray crystal structure of apo prostaglandin F synthase from leishmania major friedlin
4F40 · Prostaglandin F2-alpha SYNTHASE/D-arabinose dehydrogenase: “X-ray crystal structure of apo prostaglandin F synthase from leishmania major friedlin”. X-ray diffraction, 1 ligand (CL), 2 pockets (best druggability 0.48). MolNFT v1…
- PDB
- 4F40
- Type
- protein
- Length
- 560 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin F2-alpha SYNTHASE/D-arabinose dehydrogenase
- EC
- 1.1.1.188
- UniProt
- Q4Q646
- Ligands
- CL
- Pockets
- 2 · best druggability 0.48
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Prostaglandin F2-alpha SYNTHASE/D-arabinose dehydrogenase (EC 1.1.1.188) | protein | 280 | 45% helix, 16% strand | Q4Q646 |
Ligands and binding sites
- CL · Chloride ion · ion · chains A
- EDO · 1,2-ethanediol · additive · 18 copies · chains A, B
- CIT · Citric acid · additive · 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, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 97 | 0.48 | 0.80 | 27 | EDO |
| 2 | 107 | 0.47 | 0.79 | 25 | EDO |
Interfaces
1 interface between chains.
- A–B · 163 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 4F40 · X-ray crystal structure of Apo prostaglandin f synthase from Leishmania major Friedlin · the same entry in another collection · chain A 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 Q4Q646
- Elsewhere: RCSB PDB 4F40 · PDBe 4F40 · UniProt Q4Q646
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