Research workbench
crystal structure of pde10a2 mutant D564A in complex with cAMP.
Analyse crystal structure of pde10a2 mutant D564A in complex with cAMP. in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OUY
- Type
- protein
- Length
- 639 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.9
- Source
- Homo sapiens
- Molecule
- cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
- EC
- 3.1.4.17
- UniProt
- Q9Y233
- Ligands
- CMP, ZN, MG
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · resolution 1.9 · 2 distinct chains · 70% 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 | 330 | 71% helix, 0% strand | Q9Y233 |
| B | cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (EC 3.1.4.17) | protein | 309 | 69% helix, 0% strand | Q9Y233 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · 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.
Pockets
8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 757 | 0.73 | 0.79 | 67 | empty |
| 2 | 372 | 0.70 | 0.82 | 37 | MG, CMP |
| 3 | 165 | 0.65 | 0.86 | 28 | empty |
| 4 | 262 | 0.64 | 0.82 | 39 | MG |
| 5 | 83 | 0.44 | 0.81 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 1230 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2OUY · Crystal structure of PDE10A2 mutant D564A in complex with camp. · the same entry in another collection · chain A against A, TM-score 1.00
- Q9Y233 · 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 0.98
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 2OUY · PDBe 2OUY · UniProt Q9Y233
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