MolNFT v1 · #141923 · protein
Crystal structure of PDE10A catalytic domain complexed with lhb-6
5ZNL · Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase…: “Crystal structure of PDE10A catalytic domain complexed with lhb-6”. X-ray diffraction, 3 ligands (9G6, ZN, MG), 7 pockets (best druggability 0.74). MolNFT v1 #141923 on…
- PDB
- 5ZNL
- Type
- protein
- Length
- 632 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, 3.1.4.35
- UniProt
- Q9Y233
- Ligands
- 9G6, ZN, MG
- Pockets
- 7 · best druggability 0.74
Structure
x-ray diffraction · 2 distinct chains · 72% 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, 3.1.4.35) | protein | 323 | 71% helix, 0% strand | Q9Y233 |
| B | Camp and camp-inhibited cgmp 3',5'-cyclic phosphodiesterase 10A (EC 3.1.4.17, 3.1.4.35) | protein | 309 | 72% helix, 0% strand | Q9Y233 |
Ligands and binding sites
- 9G6 · N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl) oxyethyl]-1,3-benzothiazol-2-amine · ligand · 2 copies · chains A, B
- 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
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 | 666 | 0.74 | 0.80 | 63 | MG, 9G6 |
| 2 | 410 | 0.71 | 0.82 | 53 | MG, 9G6 |
| 3 | 704 | 0.68 | 0.76 | 48 | empty |
| 4 | 62 | 0.36 | 0.78 | 17 | empty |
| 5 | 73 | 0.33 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 772 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5ZNL · Crystal structure of PDE10A catalytic domain complexed with LHB-6 · 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 5ZNL · PDBe 5ZNL · UniProt Q9Y233
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.