MolNFT v1 · #157227 · protein
Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors
6MSA: “Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors”. X-ray diffraction, 3 ligands (JY4, ZN, MG). MolNFT v1 #157227 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6MSA
- Type
- protein
- Length
- 651 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- UniProt
- Q9Y233
- Ligands
- JY4, ZN, MG
Structure
x-ray diffraction · 2 distinct chains.
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | — | protein | 328 | — | Q9Y233 |
| B | — | protein | 323 | — | Q9Y233 |
Ligands and binding sites
- JY4 · 7,8-dimethoxy-1-methyl-2H-pyrazolo[3,4-c]cinnoline · ligand · chains A
- ZN · Zinc ion · metal · 2 copies · chains A, B
- MG · Magnesium ion · metal · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Compared structures
- 6MSA · Novel, potent, selective and brain penetrant phosphodiesterase 10A inhibitors · the same entry in another collection · chain A against A, TM-score 1.00
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 Q9Y233
- Elsewhere: RCSB PDB 6MSA · PDBe 6MSA · UniProt Q9Y233
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