MolNFT v1 · #42782 · protein
Solution structure of mouse lipocalin-type prostaglandin D synthase / substrate analog (U-46619) complex
2KTD · Prostaglandin-H2 D-isomerase: “Solution structure of mouse lipocalin-type prostaglandin D synthase / substrate analog (U-46619) complex”. Solution nmr, 1 ligand (PUC), 3 pockets (best druggability 0.79). MolNFT v1 #42782 on…
- PDB
- 2KTD
- Type
- protein
- Length
- 167 residues
- Chains
- 1
- Method
- solution nmr
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Prostaglandin-H2 D-isomerase
- EC
- 5.3.99.2
- UniProt
- O09114
- Ligands
- PUC
- Pockets
- 3 · best druggability 0.79
Structure
solution nmr · 1 distinct chain · 13% helix, 32% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Prostaglandin-H2 D-isomerase (EC 5.3.99.2) | protein | 167 | 13% helix, 32% strand | O09114 |
Ligands and binding sites
- PUC · (5Z)-7-{(1R,4S,5S,6R)-6-[(1E,3S)-3-hydroxyoct-1-en-1-yl]-2-oxabicyclo[2.2.1]hept-5-yl}hept-5-enoic acid · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 511 | 0.79 | 0.85 | 59 | PUC |
| 2 | 91 | 0.39 | 0.77 | 17 | empty |
| 3 | 57 | 0.35 | 0.78 | 16 | empty |
Compared structures
- 2KTD · Solution structure of mouse lipocalin-type prostaglandin D synthase / substrate analog… · the same entry in another collection · chain A against A, TM-score 1.00
- O09114 · AlphaFold monomer V2.0 prediction for prostaglandin-H2 D-isomerase (O09114) · a predicted model of the same protein · chain A against A, TM-score 0.77
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 O09114
- Elsewhere: RCSB PDB 2KTD · PDBe 2KTD · UniProt O09114
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