MolNFT v1 · #92758 · protein
Crystal structure of prostaglandin F synthase from trypanosoma cruzi bound to NADP
4GIE: “Crystal structure of prostaglandin F synthase from trypanosoma cruzi bound to NADP”. X-ray diffraction, 1 ligand (NAP), 2 pockets (best druggability 0.64). MolNFT v1 #92758 on GenesisL1: 3D structure, binding sites and pockets in…
- PDB
- 4GIE
- Type
- protein
- Length
- 288 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin F synthase
- EC
- 1.1.1.188
- UniProt
- Q4DJ07
- Ligands
- NAP
- Pockets
- 2 · best druggability 0.64
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prostaglandin F synthase (EC 1.1.1.188) | protein | 288 | 44% helix, 16% strand | Q4DJ07 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 298 | 0.64 | 0.80 | 40 | ACT, NAP |
| 2 | 59 | 0.32 | 0.76 | 15 | empty |
Compared structures
- 4GIE · Crystal structure of prostaglandin F synthase from Trypanosoma cruzi bound to NADP · 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 A against A, TM-score 0.97
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 4GIE · PDBe 4GIE · UniProt Q4DJ07
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