Research workbench
Crystal structure of PDE10A2 in complex with gmp
Analyse Crystal structure of PDE10A2 in complex with gmp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2OUQ
- Type
- protein
- Length
- 635 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
- 5GP, ZN, MG
- Pockets
- 9 · best druggability 0.72
Structure
x-ray diffraction · 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 | 326 | 72% 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
- 5GP · Guanosine-5'-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
9 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 412 | 0.72 | 0.82 | 44 | MG, 5GP |
| 2 | 412 | 0.72 | 0.82 | 54 | MG |
| 3 | 690 | 0.70 | 0.77 | 57 | empty |
| 4 | 87 | 0.49 | 0.82 | 21 | empty |
| 5 | 126 | 0.42 | 0.76 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 996 Ų buried · 9 hydrogen bonds · protein-protein
Compared structures
- 2OUQ · crystal structure of PDE10A2 in complex with GMP · 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 2OUQ · PDBe 2OUQ · UniProt Q9Y233
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