MolNFT v1 · #154397 · protein
Discovery of PYRAZOLO[1,5-A]PYRIMIDINE derivative as a highly selective PDE10A inhibitor
6K9U: “Discovery of PYRAZOLO[1,5-A]PYRIMIDINE derivative as a highly selective PDE10A inhibitor”. X-ray diffraction, 4 ligands (D4L, ZN, MG). MolNFT v1 #154397 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6K9U
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9QYJ6
- Ligands
- D4L, ZN, MG, SO4
Structure
x-ray diffraction · 1 distinct chain.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 302 | — | Q9QYJ6 |
Ligands and binding sites
- D4L · 2-(3,7-dimethylquinoxalin-2-yl)-~{N}-(oxan-4-yl)-5-pyrrolidin-1-yl-pyrazolo[1,5-a]pyrimidin-7-amine · ligand · chains A
- ZN · Zinc ion · metal · chains A
- MG · Magnesium ion · metal · chains A
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6K9U · Discovery of Pyrazolo[1,5-a]pyrimidine Derivative as a Highly Selective PDE10A Inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
- Q9QYJ6 · AlphaFold monomer V2.0 prediction for camp and camp-inhibited cgmp 3',5'-cyclic… · a predicted model of the same protein · chain A against A, TM-score 0.99
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 Q9QYJ6
- Elsewhere: RCSB PDB 6K9U · PDBe 6K9U · UniProt Q9QYJ6
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