MolNFT v1 · #47310 · protein
Crystal structure of PDE10A2 mutant D674A in complex with camp
2OUR · Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase…: “Crystal structure of PDE10A2 mutant D674A in complex with camp”. X-ray diffraction, 2 ligands (CMP, MG), 8 pockets (best druggability 0.73). MolNFT v1 #47310 on…
- PDB
- 2OUR
- Type
- protein
- Length
- 639 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
- CMP, MG
- Pockets
- 8 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 69% 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 | 72% helix, 0% strand | Q9Y233 |
| B | Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10A (EC 3.1.4.17) | protein | 315 | 66% helix, 0% strand | Q9Y233 |
Ligands and binding sites
- CMP · Adenosine-3',5'-cyclic-monophosphate · ligand · chains A
- 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 | 451 | 0.73 | 0.83 | 62 | MG |
| 2 | 724 | 0.70 | 0.77 | 62 | empty |
| 3 | 370 | 0.70 | 0.82 | 37 | MG, CMP |
| 4 | 365 | 0.65 | 0.79 | 34 | empty |
| 5 | 97 | 0.42 | 0.78 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 883 Ų buried · 5 hydrogen bonds · protein-protein
Compared structures
- 2OUR · crystal structure of PDE10A2 mutant D674A in complex with cAMP · 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 2OUR · PDBe 2OUR · UniProt Q9Y233
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