MolNFT v1 · #157592 · protein
Hpgds complexed with a quinoline-3-carboxamide
6N4E · Hematopoietic prostaglandin D synthase: “Hpgds complexed with a quinoline-3-carboxamide”. X-ray diffraction, 2 ligands (GSH, KCD), 1 pocket (best druggability 0.60). MolNFT v1 #157592 on GenesisL1: 3D structure, binding sites and…
- PDB
- 6N4E
- Type
- protein
- Length
- 199 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hematopoietic prostaglandin D synthase
- EC
- 5.3.99.2, 2.5.1.18
- UniProt
- O60760
- Ligands
- GSH, KCD
- Pockets
- 1 · best druggability 0.60
Structure
x-ray diffraction · 1 distinct chain · 56% helix, 10% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hematopoietic prostaglandin D synthase (EC 5.3.99.2, 2.5.1.18) | protein | 199 | 56% helix, 10% strand | O60760 |
Ligands and binding sites
- GSH · Glutathione · ligand · chains A
- KCD · 7-(difluoromethoxy)-N-[trans-4-(2-hydroxypropan-2-yl) cyclohexyl]quinoline-3-carboxamide · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 202 | 0.60 | 0.81 | 29 | GSH, KCD |
Compared structures
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 O60760
- Elsewhere: RCSB PDB 6N4E · PDBe 6N4E · UniProt O60760
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