MolNFT v1 · #102638 · protein
Three-dimensional structure of the C65A mutant of human lipocalin-type prostaglandin D synthase apo-form
4ORS · Prostaglandin-H2 D-isomerase: “Three-dimensional structure of the C65A mutant of human lipocalin-type prostaglandin D synthase apo-form”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.83). MolNFT v1 #102638 on…
- PDB
- 4ORS
- Type
- protein
- Length
- 325 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin-H2 D-isomerase
- EC
- 5.3.99.2
- UniProt
- P41222
- Ligands
- SO4
- Pockets
- 2 · best druggability 0.83
Structure
x-ray diffraction · 2 distinct chains · 16% helix, 43% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prostaglandin-H2 D-isomerase (EC 5.3.99.2) | protein | 162 | 15% helix, 43% strand | P41222 |
| B | Prostaglandin-H2 D-isomerase (EC 5.3.99.2) | protein | 163 | 16% helix, 44% strand | P41222 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 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, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 656 | 0.83 | 0.87 | 64 | empty |
| 2 | 650 | 0.75 | 0.81 | 41 | empty |
Interfaces
1 interface between chains.
- A–B · 720 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 4ORS · Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D… · the same entry in another collection · chain A against A, TM-score 1.00
- P41222 · AlphaFold monomer V2.0 prediction for prostaglandin-H2 D-isomerase (P41222) · a predicted model of the same protein · chain B against A, TM-score 0.96
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 P41222
- Elsewhere: RCSB PDB 4ORS · PDBe 4ORS · UniProt P41222
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