MolNFT v1 · #47308 · protein
Crystal structure of PDE10A
2OUP · Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase…: “Crystal structure of PDE10A”. X-ray diffraction, 2 ligands (ZN, MG), 7 pockets (best druggability 0.74). MolNFT v1 #47308 on GenesisL1: 3D structure, binding sites and…
- PDB
- 2OUP
- Type
- protein
- Length
- 649 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10A
- EC
- 3.1.4.17
- UniProt
- Q9Y233
- Ligands
- ZN, MG
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 71% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10A (EC 3.1.4.17) | protein | 324 | 73% helix, 0% strand | Q9Y233 |
| B | Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10A (EC 3.1.4.17) | protein | 325 | 69% helix, 0% strand | Q9Y233 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 636 | 0.74 | 0.80 | 63 | MG |
| 2 | 391 | 0.71 | 0.83 | 39 | MG |
| 3 | 704 | 0.70 | 0.77 | 66 | empty |
| 4 | 77 | 0.44 | 0.81 | 18 | empty |
| 5 | 122 | 0.44 | 0.77 | 26 | empty |
Interfaces
1 interface between chains.
- A–B · 833 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2OUP · crystal structure of PDE10A · 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 2OUP · PDBe 2OUP · UniProt Q9Y233
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